(5S,7R)-3-chloranyl-N-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(4-ethylanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(4-ethylanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(4-ethylanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-(4-ethylanilino)-2-keto-ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-2-14-3-5-17(6-4-14)24-18(25)12-23-19(26)20-8-15-7-16(9-20)11-21(22,10-15)13-20/h3-6,15-16H,2,7-13H2,1H3,(H,23,26)(H,24,25)/t15-,16+,20?,21?