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

Systemtic Name: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-3-phenyl-1-propanone IUPAC Name: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]-3-phenyl-propan-1-one Formula: C23H20FN5O MolecularWeight: 401.436203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20FN5O/c24-20-11-8-18(9-12-20)15-26-23-27-22(19-7-4-14-25-16-19)28-29(23)21(30)13-10-17-5-2-1-3-6-17/h1-9,11-12,14,16H,10,13,15H2,(H,26,27,28)