ZTL
Summary
| Name: | (1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide |
| Formula: | C24 H34 N2 O |
| Formal charge: | 0 |
| Formula weight: | 366.54 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1R,2s,3S,5s,7s)-N-[(1r,4r)-4-(aminomethyl)cyclohexyl]-5-phenyladamantane-2-carboxamide |
| OpenEye OEToolkits | 2.0.7 | (1~{S},3~{R})-~{N}-[4-(aminomethyl)cyclohexyl]-5-phenyl-adamantane-2-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(NC1CCC(CC1)CN)C1C2CC3CC1CC(C3)(C2)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C24H34N2O/c25-15-16-6-8-21(9-7-16)26-23(27)22-18-10-17-11-19(22)14-24(12-17,13-18)20-4-2-1-3-5-20/h1-5,16-19,21-22H,6-15,25H2,(H,26,27)/t16-,17-,18-,19+,21-,22-,24- |
| InChIKey | InChI | 1.06 | IRIFICPLNIURJD-IXFKACPXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H]1CC[C@@H](CC1)NC(=O)[C@@H]2[C@@H]3CC4C[C@H]2CC(C4)(C3)c5ccccc5 |
| SMILES | CACTVS | 3.385 | NC[CH]1CC[CH](CC1)NC(=O)[CH]2[CH]3CC4C[CH]2CC(C4)(C3)c5ccccc5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C23C[C@H]4CC(C2)C[C@@H](C3)C4C(=O)NC5CCC(CC5)CN |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C23CC4CC(C2)C(C(C4)C3)C(=O)NC5CCC(CC5)CN |
