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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-pyridin-2-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(pyridine-2-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-(4-picolinoylpiperazino)quinoline-3-carbonitrile Formula: C27H22FN5O2 MolecularWeight: 467.494283

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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=CC=CC=N5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C#N)C(=O)C5=CC=CC=N5

InChI

InChI=1S/C27H22FN5O2/c28-20-10-8-19(9-11-20)18-33-24-7-2-1-5-21(24)25(22(17-29)26(33)34)31-13-15-32(16-14-31)27(35)23-6-3-4-12-30-23/h1-12H,13-16,18H2