4-(azepan-1-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-nitro-benzamide Formula: C24H27N5O4 MolecularWeight: 449.50228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4/c1-17-22(24(31)28(26(17)2)19-10-6-5-7-11-19)25-23(30)18-12-13-20(21(16-18)29(32)33)27-14-8-3-4-9-15-27/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3,(H,25,30)