3-[[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[8-(4-fluorophenyl)-2-quinolyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[8-(4-fluorophenyl)-2-quinolinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-[8-(4-fluorophenyl)quinolin-2-yl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-[8-(4-fluorophenyl)-2-quinolyl]piperazino]methyl]benzonitrile Formula: C27H23FN4 MolecularWeight: 422.496723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=C(C=C5)F)C=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC(=C2)C#N)C3=NC4=C(C=CC=C4C5=CC=C(C=C5)F)C=C3

InChI

InChI=1S/C27H23FN4/c28-24-10-7-22(8-11-24)25-6-2-5-23-9-12-26(30-27(23)25)32-15-13-31(14-16-32)19-21-4-1-3-20(17-21)18-29/h1-12,17H,13-16,19H2