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

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[2-(3-acetylanilino)-2-oxo-ethyl]-3-chloro-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[2-(3-acetylanilino)-2-oxoethyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[2-(3-acetylanilino)-2-oxoethyl]-3-chloroadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[2-(3-acetylanilino)-2-keto-ethyl]-3-chloro-adamantane-1-carboxamide Formula: C21H25ClN2O3 MolecularWeight: 388.8878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O3/c1-13(25)16-3-2-4-17(6-16)24-18(26)11-23-19(27)20-7-14-5-15(8-20)10-21(22,9-14)12-20/h2-4,6,14-15H,5,7-12H2,1H3,(H,23,27)(H,24,26)/t14-,15+,20?,21?