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

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-(4-methylanilino)-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(4-methylanilino)-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-(4-methylanilino)-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-(p-toluidino)ethyl]adamantane-1-carboxamide Formula: C20H25ClN2O2 MolecularWeight: 360.8777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CNC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C20H25ClN2O2/c1-13-2-4-16(5-3-13)23-17(24)11-22-18(25)19-7-14-6-15(8-19)10-20(21,9-14)12-19/h2-5,14-15H,6-12H2,1H3,(H,22,25)(H,23,24)/t14-,15+,19?,20?