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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=CC=C3C4=CC=CC(=C4)C#N)C=C2)C(=O)C5=CC=C(C=C5)F

InChI

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