N-[4-(cyanomethyl)phenyl]-3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-3-(3-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[4-(cyanomethyl)phenyl]-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[4-(cyanomethyl)phenyl]-3-(3-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-3-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[4-(cyanomethyl)phenyl]-3-(m-tolyl)-1-phenyl-pyrazole-4-carboxamide Formula: C25H20N4O MolecularWeight: 392.4525

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)CC#N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2C(=O)NC3=CC=C(C=C3)CC#N)C4=CC=CC=C4

InChI

InChI=1S/C25H20N4O/c1-18-6-5-7-20(16-18)24-23(17-29(28-24)22-8-3-2-4-9-22)25(30)27-21-12-10-19(11-13-21)14-15-26/h2-13,16-17H,14H2,1H3,(H,27,30)