| PDB CCD ID: | Y18 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C17 H19 N3 O2 |
| InChI: | InChI=1S/C17H19N3O2/c1-19-9-11(8-15(19)21)10-20-13-5-3-2-4-12(13)16-14(20)6-7-18-17(16)22/h2-5,11H,6-10H2,1H3,(H,18,22)/t11-/m0/s1 |
| InChIKey: | UERBETVZEWZRSL-NSHDSACASA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 2.0.7 | CN1CC(CC1=O)Cn2c3ccccc3c4c2CCNC4=O | | OpenEye OEToolkits 2.0.7 | CN1C[C@H](CC1=O)Cn2c3ccccc3c4c2CCNC4=O | | ACDLabs 12.01 | C1(=O)c3c(CCN1)n(CC2CC(N(C2)C)=O)c4c3cccc4 | | CACTVS 3.385 | CN1C[CH](Cn2c3CCNC(=O)c3c4ccccc24)CC1=O | | CACTVS 3.385 | CN1C[C@@H](Cn2c3CCNC(=O)c3c4ccccc24)CC1=O |
|
| Name: | 5-{[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl}-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-1-one |
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