YID
Summary
| Name: | (6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one |
| Formula: | C34 H42 N4 O3 |
| Formal charge: | 0 |
| Formula weight: | 554.722 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one |
| OpenEye OEToolkits | 2.0.7 | (6~{S})-1-(3-~{tert}-butylphenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cc1noc(C)c1c1cc2nc(C3CCCC(=O)N3c3cc(ccc3)C(C)(C)C)n(C3CCC(OC)CC3)c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C34H42N4O3/c1-21-32(22(2)41-36-21)23-13-18-29-28(19-23)35-33(38(29)25-14-16-27(40-6)17-15-25)30-11-8-12-31(39)37(30)26-10-7-9-24(20-26)34(3,4)5/h7,9-10,13,18-20,25,27,30H,8,11-12,14-17H2,1-6H3/t25-,27+,30-/m0/s1 |
| InChIKey | InChI | 1.06 | AITZELJGZIFAPE-NSROOHRNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CO[C@@H]1CC[C@@H](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[C@@H]5CCCC(=O)N5c6cccc(c6)C(C)(C)C |
| SMILES | CACTVS | 3.385 | CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(C)onc4C)[CH]5CCCC(=O)N5c6cccc(c6)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)[C@@H]5CCCC(=O)N5c6cccc(c6)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)OC)C5CCCC(=O)N5c6cccc(c6)C(C)(C)C |
