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

Systemtic Name: [3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-pyridin-4-yl-methanone Openeye Name: [3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-(4-pyridyl)methanone CAS Name: [3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone IUPAC Name: [3,5-bis[(4-chlorophenyl)methylamino]-1,2,4-triazol-1-yl]-pyridin-4-ylmethanone Traditional Name: [3,5-bis[(4-chlorobenzyl)amino]-1,2,4-triazol-1-yl]-(4-pyridyl)methanone Formula: C22H18Cl2N6O MolecularWeight: 453.32392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)C(=O)C4=CC=NC=C4)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC2=NN(C(=N2)NCC3=CC=C(C=C3)Cl)C(=O)C4=CC=NC=C4)Cl

InChI

InChI=1S/C22H18Cl2N6O/c23-18-5-1-15(2-6-18)13-26-21-28-22(27-14-16-3-7-19(24)8-4-16)30(29-21)20(31)17-9-11-25-12-10-17/h1-12H,13-14H2,(H2,26,27,28,29)