
 1-(3-methoxyphenyl)-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline

 52 56  0  0  0  0  0  0  0  0999 V2000
    8.7339   -0.1633   -2.5425 C   0  0  0  0  0
    7.6176    0.3587   -1.7931 N   0  0  0  0  0
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    6.3725    1.3042   -0.2473 C   0  0  0  0  0
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    6.3949    0.3927   -2.3493 N   0  0  0  0  0
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    5.3354    3.2885    0.6969 N   0  0  0  0  0
    6.3631    4.2582    0.2501 C   0  0  0  0  0
    5.7547    5.5550   -0.3473 C   0  0  0  0  0
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    4.4711    3.8215    1.7877 C   0  0  0  0  0
    5.1031    3.8364    3.1869 C   0  0  0  0  0
    5.8960    4.9136    3.6381 C   0  0  0  0  0
    6.4510    4.9204    4.9184 C   0  0  0  0  0
    6.2351    3.8280    5.7593 C   0  0  0  0  0
    5.4617    2.7485    5.3351 C   0  0  0  0  0
    4.8942    2.7556    4.0603 C   0  0  0  0  0
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    7.3489    7.1095    4.6863 C   0  0  0  0  0
    2.9314    5.8572    1.9302 N   0  0  0  0  0
    2.8551    7.1265    1.3952 C   0  0  0  0  0
    1.9608    8.1673    1.6719 C   0  0  0  0  0
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    4.0318    8.4687   -0.2314 C   0  0  0  0  0
    3.8857    7.2498    0.4582 C   0  0  0  0  0
    9.4794   -0.5545   -1.8454 H   0  0  0  0  0
    9.1574    0.6537   -3.1317 H   0  0  0  0  0
    8.3837   -0.9658   -3.1964 H   0  0  0  0  0
    8.5699    0.9159    0.0420 H   0  0  0  0  0
    4.5883    1.1385   -1.6104 H   0  0  0  0  0
    6.6786    2.0114    1.7429 H   0  0  0  0  0
    5.0870    1.3149    1.4020 H   0  0  0  0  0
    6.9982    3.8291   -0.5334 H   0  0  0  0  0
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    4.2887    1.9064    3.7512 H   0  0  0  0  0
    7.9232    7.8286    5.2785 H   0  0  0  0  0
    6.3734    7.5597    4.4726 H   0  0  0  0  0
    7.9072    6.9172    3.7642 H   0  0  0  0  0
    2.3203    5.5003    2.6518 H   0  0  0  0  0
    1.1646    8.0532    2.3999 H   0  0  0  0  0
    1.4520   10.1972    1.1708 H   0  0  0  0  0
    3.2626   10.4642   -0.4876 H   0  0  0  0  0
    4.8241    8.5953   -0.9625 H   0  0  0  0  0
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M  END

>  <Chemical Name>
1-(3-methoxyphenyl)-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline

>  <PubChem CID>
16191930

>  <Formula>
C23H24N4O

>  <Molecular Weight>
372.472000

>  <IUPAC Name>
1-(3-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C=C(C=N1)CN2CCC3=C(C2C4=CC(=CC=C4)OC)NC5=CC=CC=C35

>  <Isomeric SMILES>
CN1C=C(C=N1)CN2CCC3=C(C2C4=CC(=CC=C4)OC)NC5=CC=CC=C35

>  <InChI Std. ID>
InChI=1S/C23H24N4O/c1-26-14-16(13-24-26)15-27-11-10-20-19-8-3-4-9-21(19)25-22(20)23(27)17-6-5-7-18(12-17)28-2/h3-9,12-14,23,25H,10-11,15H2,1-2H3

>  <InChI Key>
IHSRCLVGXQRSON-UHFFFAOYSA-N

