N-[(2S)-1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(3-chloranyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-(3-chloro-4-methyl-anilino)-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C21H27ClN2O2 MolecularWeight: 374.90428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C)NC(=O)C23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C21H27ClN2O2/c1-12-3-4-17(8-18(12)22)24-19(25)13(2)23-20(26)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,13-16H,5-7,9-11H2,1-2H3,(H,23,26)(H,24,25)/t13-,14?,15?,16?,21?/m0/s1