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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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