N-[(1S,6S)-6-(4-chlorophenyl)-2,2-dimethyl-4-oxidanylidene-cyclohexyl]benzamide

Systemtic Name: N-[(1S,6S)-6-(4-chlorophenyl)-2,2-dimethyl-4-oxidanylidene-cyclohexyl]benzamide Openeye Name: N-[(1S,6S)-6-(4-chlorophenyl)-2,2-dimethyl-4-oxo-cyclohexyl]benzamide CAS Name: N-[(1S,6S)-6-(4-chlorophenyl)-2,2-dimethyl-4-oxocyclohexyl]benzamide IUPAC Name: N-[(1S,6S)-6-(4-chlorophenyl)-2,2-dimethyl-4-oxocyclohexyl]benzamide Traditional Name: N-[(1S,6S)-6-(4-chlorophenyl)-4-keto-2,2-dimethyl-cyclohexyl]benzamide Formula: C21H22ClNO2 MolecularWeight: 355.85788

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)CC(C1NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(CC(=O)C[C@H]([C@@H]1NC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H22ClNO2/c1-21(2)13-17(24)12-18(14-8-10-16(22)11-9-14)19(21)23-20(25)15-6-4-3-5-7-15/h3-11,18-19H,12-13H2,1-2H3,(H,23,25)/t18-,19-/m0/s1