N-[(2S)-1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(3,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-2-(3,4-dimethylanilino)-1-methyl-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(3,4-dimethylanilino)-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(3,4-dimethylanilino)-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-(3,4-dimethylanilino)-2-keto-1-methyl-ethyl]adamantane-1-carboxamide Formula: C22H30N2O2 MolecularWeight: 354.4858

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-13-4-5-19(6-14(13)2)24-20(25)15(3)23-21(26)22-10-16-7-17(11-22)9-18(8-16)12-22/h4-6,15-18H,7-12H2,1-3H3,(H,23,26)(H,24,25)/t15-,16?,17?,18?,22?/m0/s1