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

Systemtic Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(phenylmethyl)pyrazole-3-carboxamide Openeye Name: N-benzyl-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(phenylmethyl)-3-pyrazolecarboxamide IUPAC Name: N-benzyl-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Traditional Name: N-benzyl-5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)pyrazole-3-carboxamide Formula: C25H22N4O3 MolecularWeight: 426.46718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN(C(=C2)C(=O)NCC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H22N4O3/c1-17-11-12-20(13-18(17)2)23-15-24(25(30)26-16-19-7-4-3-5-8-19)28(27-23)21-9-6-10-22(14-21)29(31)32/h3-15H,16H2,1-2H3,(H,26,30)