1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-quinolin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-quinolin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(quinoline-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(2-quinolinyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(quinoline-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-(4-quinaldoylpiperazino)quinoline-3-carbonitrile Formula: C31H24FN5O2 MolecularWeight: 517.552963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)C(=O)C5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)C(=O)C5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H24FN5O2/c32-23-12-9-21(10-13-23)20-37-28-8-4-2-6-24(28)29(25(19-33)30(37)38)35-15-17-36(18-16-35)31(39)27-14-11-22-5-1-3-7-26(22)34-27/h1-14H,15-18,20H2