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

Systemtic Name: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenyl-ethanone Openeye Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone CAS Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-2-phenylethanone IUPAC Name: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-2-phenylethanone Traditional Name: 1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-2-phenyl-ethanone Formula: C22H18FN5O MolecularWeight: 387.409623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN5O/c23-19-10-8-17(9-11-19)14-25-22-26-21(18-7-4-12-24-15-18)27-28(22)20(29)13-16-5-2-1-3-6-16/h1-12,15H,13-14H2,(H,25,26,27)