YPM
Summary
| Name: | (1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide |
| Formula: | C29 H36 N2 O |
| Formal charge: | 0 |
| Formula weight: | 428.609 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1s,3R,5S,7s)-N-[(1r,4r)-4-aminocyclohexyl]-3,5-diphenyladamantane-1-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (3~{S},5~{R})-~{N}-(4-azanylcyclohexyl)-3,5-diphenyl-adamantane-1-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCC(N)CC1)C12CC3CC(CC(C3)(C1)c1ccccc1)(C2)c1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C29H36N2O/c30-24-11-13-25(14-12-24)31-26(32)29-17-21-15-27(19-29,22-7-3-1-4-8-22)18-28(16-21,20-29)23-9-5-2-6-10-23/h1-10,21,24-25H,11-20,30H2,(H,31,32)/t21-,24-,25-,27-,28+,29- |
| InChIKey | InChI | 1.03 | NVUHXOGQIOZZGY-AVGVDBRCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[C@H]1CC[C@@H](CC1)NC(=O)C23CC4C[C@](C2)(C[C@@](C4)(C3)c5ccccc5)c6ccccc6 |
| SMILES | CACTVS | 3.385 | N[CH]1CC[CH](CC1)NC(=O)C23CC4C[C](C2)(C[C](C4)(C3)c5ccccc5)c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)[C@]23CC4C[C@](C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6 |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C23CC4CC(C2)(CC(C4)(C3)C(=O)NC5CCC(CC5)N)c6ccccc6 |
