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

Systemtic Name: 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Openeye Name: 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide CAS Name: 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-4-pyrazolecarboxamide IUPAC Name: 1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide Traditional Name: 1-phenyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]pyrazole-4-carboxamide Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H18N6O/c27-20(18-11-23-26(13-18)19-4-2-1-3-5-19)22-10-16-6-8-17(9-7-16)12-25-15-21-14-24-25/h1-9,11,13-15H,10,12H2,(H,22,27)