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

Systemtic Name: 1-[5-[(3-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[5-[(3-chlorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone CAS Name: 1-[5-[(3-chlorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenoxyethanone IUPAC Name: 1-[5-[(3-chlorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenoxyethanone Traditional Name: 1-[5-[(3-chlorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenoxy-ethanone Formula: C22H18ClN5O2 MolecularWeight: 419.86362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)OCC(=O)N2C(=NC(=N2)C3=CN=CC=C3)NCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5O2/c23-18-8-4-6-16(12-18)13-25-22-26-21(17-7-5-11-24-14-17)27-28(22)20(29)15-30-19-9-2-1-3-10-19/h1-12,14H,13,15H2,(H,25,26,27)