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

Systemtic Name: 3-[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[8-(2-fluorophenyl)-2-quinolyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[8-(2-fluorophenyl)-2-quinolinyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-[8-(2-fluorophenyl)quinolin-2-yl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[8-(2-fluorophenyl)-2-quinolyl]piperazine-1-carbonyl]benzonitrile Formula: C27H21FN4O MolecularWeight: 436.480243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC=C4F)C=C2)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC=C4F)C=C2)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H21FN4O/c28-24-10-2-1-8-22(24)23-9-4-6-20-11-12-25(30-26(20)23)31-13-15-32(16-14-31)27(33)21-7-3-5-19(17-21)18-29/h1-12,17H,13-16H2