N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-[(2-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-[(2-chlorobenzyl)amino]-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1Cl)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H27ClN2O2/c1-13(19(25)23-12-17-4-2-3-5-18(17)22)24-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h2-5,13-16H,6-12H2,1H3,(H,23,25)(H,24,26)/t13-,14?,15?,16?,21?/m0/s1