1-[4-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-[4-(benzotriazol-1-ylmethyl)phenyl]carbonylpiperazin-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[4-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-yl]-3-fluoro-phenyl]ethanone CAS Name: 1-[4-[4-[[4-(1-benzotriazolylmethyl)phenyl]-oxomethyl]-1-piperazinyl]-3-fluorophenyl]ethanone IUPAC Name: 1-[4-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazin-1-yl]-3-fluorophenyl]ethanone Traditional Name: 1-[4-[4-[4-(benzotriazol-1-ylmethyl)benzoyl]piperazino]-3-fluoro-phenyl]ethanone Formula: C26H24FN5O2 MolecularWeight: 457.499463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4C5=CC=CC=C5N=N4)F

InChI

InChI=1S/C26H24FN5O2/c1-18(33)21-10-11-24(22(27)16-21)30-12-14-31(15-13-30)26(34)20-8-6-19(7-9-20)17-32-25-5-3-2-4-23(25)28-29-32/h2-11,16H,12-15,17H2,1H3