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

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(4-ethoxyanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(4-ethoxyanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(p-phenetidino)ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O3 MolecularWeight: 390.90368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H27ClN2O3/c1-2-27-17-5-3-16(4-6-17)24-18(25)12-23-19(26)20-8-14-7-15(9-20)11-21(22,10-14)13-20/h3-6,14-15H,2,7-13H2,1H3,(H,23,26)(H,24,25)/t14-,15+,20?,21?