[5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-2-yl-methanone

Systemtic Name: [5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-2-yl-methanone Openeye Name: [5-[(4-chlorophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-(2-pyridyl)methanone CAS Name: [5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(2-pyridinyl)methanone IUPAC Name: [5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-2-ylmethanone Traditional Name: [5-[(4-chlorobenzyl)amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-(2-pyridyl)methanone Formula: C22H18ClN5O MolecularWeight: 403.86422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=N4

InChI

InChI=1S/C22H18ClN5O/c1-15-5-9-17(10-6-15)20-26-22(25-14-16-7-11-18(23)12-8-16)28(27-20)21(29)19-4-2-3-13-24-19/h2-13H,14H2,1H3,(H,25,26,27)