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

Systemtic Name: [5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-yl-methanone Openeye Name: [5-[(4-chlorophenyl)methylamino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-(3-pyridyl)methanone CAS Name: [5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-(3-pyridinyl)methanone IUPAC Name: [5-[(4-chlorophenyl)methylamino]-3-(4-methylphenyl)-1,2,4-triazol-1-yl]-pyridin-3-ylmethanone Traditional Name: [5-[(4-chlorobenzyl)amino]-3-(p-tolyl)-1,2,4-triazol-1-yl]-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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