4-(azepan-1-yl)-N-[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(1S)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[(1S)-1-(2-chlorophenyl)-2-keto-cyclohexyl]-N-methyl-3-nitro-benzamide Formula: C26H30ClN3O4 MolecularWeight: 483.9871

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-])C3(CCCCC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN(C(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-])[C@@]3(CCCCC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C26H30ClN3O4/c1-28(26(15-7-6-12-24(26)31)20-10-4-5-11-21(20)27)25(32)19-13-14-22(23(18-19)30(33)34)29-16-8-2-3-9-17-29/h4-5,10-11,13-14,18H,2-3,6-9,12,15-17H2,1H3/t26-/m0/s1