
 CID 15005334

 74 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CID 15005334

>  <PubChem CID>
15005334

>  <Formula>
C33H32ClN5O3

>  <Molecular Weight>
582.101000

>  <IUPAC Name>
ethyl 4-(2-chlorophenyl)-6-methyl-5-(pyridin-2-ylcarbamoyl)-2-[4-(2,4,5-trimethylimidazol-1-yl)phenyl]-1,4-dihydropyridine-3-carboxylate

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=C(N=C5C)C)C

>  <Isomeric SMILES>
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)NC3=CC=CC=N3)C)C4=CC=C(C=C4)N5C(=C(N=C5C)C)C

>  <InChI Std. ID>
InChI=1S/C33H32ClN5O3/c1-6-42-33(41)30-29(25-11-7-8-12-26(25)34)28(32(40)38-27-13-9-10-18-35-27)20(3)37-31(30)23-14-16-24(17-15-23)39-21(4)19(2)36-22(39)5/h7-18,29,37H,6H2,1-5H3,(H,35,38,40)

>  <InChI Key>
KSAZWYFJLZNXHL-UHFFFAOYSA-N

