5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-N-(2-oxidanylideneazepan-3-yl)pyrazole-3-carboxamide

Systemtic Name: 5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-N-(2-oxidanylideneazepan-3-yl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-N-(2-oxo-3-azepanyl)-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-2-(4-nitrophenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(2-ketoazepan-3-yl)-2-(4-nitrophenyl)pyrazole-3-carboxamide Formula: C24H25N5O4 MolecularWeight: 447.4864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NC3CCCCNC3=O)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NC3CCCCNC3=O)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C24H25N5O4/c1-15-6-7-17(13-16(15)2)21-14-22(24(31)26-20-5-3-4-12-25-23(20)30)28(27-21)18-8-10-19(11-9-18)29(32)33/h6-11,13-14,20H,3-5,12H2,1-2H3,(H,25,30)(H,26,31)