4-(azepan-1-yl)-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methyl]-3-nitro-benzamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C

InChI

InChI=1S/C21H26N4O4/c1-14-11-15(2)23-21(27)17(14)13-22-20(26)16-7-8-18(19(12-16)25(28)29)24-9-5-3-4-6-10-24/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,22,26)(H,23,27)