1-[[3-(4-cyclopentyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]cinnolin-4-one

Systemtic Name: 1-[[3-(4-cyclopentyl-3-oxidanylidene-piperazin-1-yl)carbonyl-4-fluoranyl-phenyl]methyl]cinnolin-4-one Openeye Name: 1-[[3-(4-cyclopentyl-3-oxo-piperazine-1-carbonyl)-4-fluoro-phenyl]methyl]cinnolin-4-one CAS Name: 1-[[3-[(4-cyclopentyl-3-oxo-1-piperazinyl)-oxomethyl]-4-fluorophenyl]methyl]-4-cinnolinone IUPAC Name: 1-[[3-(4-cyclopentyl-3-oxopiperazine-1-carbonyl)-4-fluorophenyl]methyl]cinnolin-4-one Traditional Name: 1-[3-(4-cyclopentyl-3-keto-piperazine-1-carbonyl)-4-fluoro-benzyl]cinnolin-4-one Formula: C25H25FN4O3 MolecularWeight: 448.489403

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CCN(CC2=O)C(=O)C3=C(C=CC(=C3)CN4C5=CC=CC=C5C(=O)C=N4)F

Isomeric SMILES

C1CCC(C1)N2CCN(CC2=O)C(=O)C3=C(C=CC(=C3)CN4C5=CC=CC=C5C(=O)C=N4)F

InChI

InChI=1S/C25H25FN4O3/c26-21-10-9-17(15-30-22-8-4-3-7-19(22)23(31)14-27-30)13-20(21)25(33)28-11-12-29(24(32)16-28)18-5-1-2-6-18/h3-4,7-10,13-14,18H,1-2,5-6,11-12,15-16H2