3-(4-methylphenyl)-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-3-(p-tolyl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-3-(p-tolyl)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C27H24N6O MolecularWeight: 448.51906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N6O/c1-20-7-13-23(14-8-20)26-25(17-33(31-26)24-5-3-2-4-6-24)27(34)29-15-21-9-11-22(12-10-21)16-32-19-28-18-30-32/h2-14,17-19H,15-16H2,1H3,(H,29,34)