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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-piperidin-1-ylcarbonylpiperazin-1-yl)quinoline-3-carbonitrile Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(piperidine-1-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(1-piperidinyl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(piperidine-1-carbonyl)piperazin-1-yl]quinoline-3-carbonitrile Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-(piperidine-1-carbonyl)piperazino]quinoline-3-carbonitrile Formula: C27H28FN5O2 MolecularWeight: 473.541923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)N2CCN(CC2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

Isomeric SMILES

C1CCN(CC1)C(=O)N2CCN(CC2)C3=C(C(=O)N(C4=CC=CC=C43)CC5=CC=C(C=C5)F)C#N

InChI

InChI=1S/C27H28FN5O2/c28-21-10-8-20(9-11-21)19-33-24-7-3-2-6-22(24)25(23(18-29)26(33)34)30-14-16-32(17-15-30)27(35)31-12-4-1-5-13-31/h2-3,6-11H,1,4-5,12-17,19H2