2-(4-methylphenyl)carbonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-(4-methylphenyl)carbonyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-(4-methylbenzoyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-[(4-methylphenyl)-oxomethyl]-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-(4-methylbenzoyl)-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 2-p-toluoyl-N-[2-(1,2,4-triazol-1-ylmethyl)benzyl]benzamide Formula: C25H22N4O2 MolecularWeight: 410.46778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3CN4C=NC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)NCC3=CC=CC=C3CN4C=NC=N4

InChI

InChI=1S/C25H22N4O2/c1-18-10-12-19(13-11-18)24(30)22-8-4-5-9-23(22)25(31)27-14-20-6-2-3-7-21(20)15-29-17-26-16-28-29/h2-13,16-17H,14-15H2,1H3,(H,27,31)