1-(3,4-dimethylphenyl)-N-(phenylmethyl)-5-pyridin-4-yl-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3,4-dimethylphenyl)-N-(phenylmethyl)-5-pyridin-4-yl-1,2,3-triazole-4-carboxamide Openeye Name: N-benzyl-1-(3,4-dimethylphenyl)-5-(4-pyridyl)triazole-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)-N-(phenylmethyl)-5-pyridin-4-yl-4-triazolecarboxamide IUPAC Name: N-benzyl-1-(3,4-dimethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide Traditional Name: N-benzyl-1-(3,4-dimethylphenyl)-5-(4-pyridyl)triazole-4-carboxamide Formula: C23H21N5O MolecularWeight: 383.44574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)NCC3=CC=CC=C3)C4=CC=NC=C4)C

InChI

InChI=1S/C23H21N5O/c1-16-8-9-20(14-17(16)2)28-22(19-10-12-24-13-11-19)21(26-27-28)23(29)25-15-18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,29)