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

Systemtic Name: 5-(3,4-dimethylphenyl)-2-(3-methylphenyl)-N-(2-oxidanylideneazepan-3-yl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-2-(m-tolyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-2-(3-methylphenyl)-N-(2-oxo-3-azepanyl)-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-2-(3-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-N-(2-ketoazepan-3-yl)-2-(m-tolyl)pyrazole-3-carboxamide Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC(=C(C=C3)C)C)C(=O)NC4CCCCNC4=O

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CC(=N2)C3=CC(=C(C=C3)C)C)C(=O)NC4CCCCNC4=O

InChI

InChI=1S/C25H28N4O2/c1-16-7-6-8-20(13-16)29-23(25(31)27-21-9-4-5-12-26-24(21)30)15-22(28-29)19-11-10-17(2)18(3)14-19/h6-8,10-11,13-15,21H,4-5,9,12H2,1-3H3,(H,26,30)(H,27,31)