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

Systemtic Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide Openeye Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(4-pyridylmethyl)pyrazole-3-carboxamide CAS Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(pyridin-4-ylmethyl)-3-pyrazolecarboxamide IUPAC Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide Traditional Name: 5-(3,4-dimethylphenyl)-2-(3-nitrophenyl)-N-(4-pyridylmethyl)pyrazole-3-carboxamide Formula: C24H21N5O3 MolecularWeight: 427.45524

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C24H21N5O3/c1-16-6-7-19(12-17(16)2)22-14-23(24(30)26-15-18-8-10-25-11-9-18)28(27-22)20-4-3-5-21(13-20)29(31)32/h3-14H,15H2,1-2H3,(H,26,30)