ZQH
Summary
| Name: | [(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone |
| Formula: | C32 H40 N2 O |
| Formal charge: | 0 |
| Formula weight: | 468.673 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone |
| OpenEye OEToolkits | 2.0.7 | [(4~{R})-4-azanyl-3,3-dimethyl-piperidin-1-yl]-[(5~{R},7~{S})-3-phenyl-6-(2-phenylethylidene)-1-adamantyl]methanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CC1(C)CN(CCC1N)C(=O)C12CC\3CC(CC(C1)C/3=C\Cc1ccccc1)(C2)c1ccccc1 |
| InChI | InChI | 1.06 | InChI=1S/C32H40N2O/c1-30(2)22-34(16-15-28(30)33)29(35)32-19-24-17-31(21-32,26-11-7-4-8-12-26)18-25(20-32)27(24)14-13-23-9-5-3-6-10-23/h3-12,14,24-25,28H,13,15-22,33H2,1-2H3/b27-14-/t24-,25+,28+,31+,32-/m0/s1 |
| InChIKey | InChI | 1.06 | ZJCVPSYUNWYDCW-JDHUQGDGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CN(CC[C@H]1N)C(=O)C23C[C@H]4C[C](C[C@@H](C2)[C@@]4=[CH]Cc5ccccc5)(C3)c6ccccc6 |
| SMILES | CACTVS | 3.385 | CC1(C)CN(CC[CH]1N)C(=O)C23C[CH]4C[C](C[CH](C2)[C]4=[CH]Cc5ccccc5)(C3)c6ccccc6 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(CN(CC[C@H]1N)C(=O)C23C[C@H]4CC(C2)(C[C@@H](C3)C4=CCc5ccccc5)c6ccccc6)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC1(CN(CCC1N)C(=O)C23CC4CC(C2)(CC(C3)C4=CCc5ccccc5)c6ccccc6)C |
