9NP
Summary
| Name: | (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide |
| Formula: | C28 H33 N7 O |
| Formal charge: | 0 |
| Formula weight: | 483.608 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-N,2-dicyclohexyl-2-{2-[4-(1H-tetrazol-5-yl)phenyl]-1H-benzimidazol-1-yl}acetamide |
| OpenEye OEToolkits | 2.0.6 | (2~{S})-~{N},2-dicyclohexyl-2-[2-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzimidazol-1-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n4c1c(cccc1)n(C(C(=O)NC2CCCCC2)C3CCCCC3)c4c6ccc(c5nnnn5)cc6 |
| InChI | InChI | 1.03 | InChI=1S/C28H33N7O/c36-28(29-22-11-5-2-6-12-22)25(19-9-3-1-4-10-19)35-24-14-8-7-13-23(24)30-27(35)21-17-15-20(16-18-21)26-31-33-34-32-26/h7-8,13-19,22,25H,1-6,9-12H2,(H,29,36)(H,31,32,33,34)/t25-/m0/s1 |
| InChIKey | InChI | 1.03 | WMTZCRYRUZAGRY-VWLOTQADSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O=C(NC1CCCCC1)[C@H](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5)c6[nH]nnn6 |
| SMILES | CACTVS | 3.385 | O=C(NC1CCCCC1)[CH](C2CCCCC2)n3c4ccccc4nc3c5ccc(cc5)c6[nH]nnn6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(n2[C@@H](C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)nc(n2C(C3CCCCC3)C(=O)NC4CCCCC4)c5ccc(cc5)c6[nH]nnn6 |
