9L7
Summary
| Name: | (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide |
| Formula: | C34 H37 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 519.676 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-{2-[4-(benzenecarbonyl)phenyl]-1H-benzimidazol-1-yl}-N,2-dicyclohexylacetamide |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N},2-dicyclohexyl-2-[2-[4-(phenylcarbonyl)phenyl]benzimidazol-1-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c6c1c(n(c(n1)c2ccc(cc2)C(=O)c3ccccc3)C(C(NC4CCCCC4)=O)C5CCCCC5)ccc6 |
| InChI | InChI | 1.03 | InChI=1S/C34H37N3O2/c38-32(25-14-6-2-7-15-25)26-20-22-27(23-21-26)33-36-29-18-10-11-19-30(29)37(33)31(24-12-4-1-5-13-24)34(39)35-28-16-8-3-9-17-28/h2,6-7,10-11,14-15,18-24,28,31H,1,3-5,8-9,12-13,16-17H2,(H,35,39)/t31-/m0/s1 |
| InChIKey | InChI | 1.03 | UYOADCMXWNRRPQ-HKBQPEDESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1CCCCC1)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5)C(=O)c6ccccc6 |
| SMILES | CACTVS | 3.385 | O=C(NC1CCCCC1)[CH](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5)C(=O)c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3[C@@H](C5CCCCC5)C(=O)NC6CCCCC6 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)c2ccc(cc2)c3nc4ccccc4n3C(C5CCCCC5)C(=O)NC6CCCCC6 |
