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

Systemtic Name: 3-[2-[4-(3-cyanophenyl)carbonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(3-cyanobenzoyl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-[(3-cyanophenyl)-oxomethyl]-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(3-cyanobenzoyl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(3-cyanobenzoyl)piperazino]-8-quinolyl]benzonitrile Formula: C28H21N5O MolecularWeight: 443.49924

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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=CC(=C5)C#N

Isomeric SMILES

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

InChI

InChI=1S/C28H21N5O/c29-18-20-4-1-7-23(16-20)25-9-3-6-22-10-11-26(31-27(22)25)32-12-14-33(15-13-32)28(34)24-8-2-5-21(17-24)19-30/h1-11,16-17H,12-15H2