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

Systemtic Name: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Openeye Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one CAS Name: 1-[5-[(4-fluorophenyl)methylamino]-3-(3-pyridinyl)-1,2,4-triazol-1-yl]-1-butanone IUPAC Name: 1-[5-[(4-fluorophenyl)methylamino]-3-pyridin-3-yl-1,2,4-triazol-1-yl]butan-1-one Traditional Name: 1-[5-[(4-fluorobenzyl)amino]-3-(3-pyridyl)-1,2,4-triazol-1-yl]butan-1-one Formula: C18H18FN5O MolecularWeight: 339.366823

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)F

Isomeric SMILES

CCCC(=O)N1C(=NC(=N1)C2=CN=CC=C2)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C18H18FN5O/c1-2-4-16(25)24-18(21-11-13-6-8-15(19)9-7-13)22-17(23-24)14-5-3-10-20-12-14/h3,5-10,12H,2,4,11H2,1H3,(H,21,22,23)