3-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(8-pyrimidin-5-yl-2-quinolyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[8-(5-pyrimidinyl)-2-quinolinyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-(8-pyrimidin-5-ylquinolin-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[8-(5-pyrimidyl)-2-quinolyl]piperazine-1-carbonyl]benzonitrile Formula: C25H20N6O MolecularWeight: 420.4659

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N6O/c26-14-18-3-1-5-20(13-18)25(32)31-11-9-30(10-12-31)23-8-7-19-4-2-6-22(24(19)29-23)21-15-27-17-28-16-21/h1-8,13,15-17H,9-12H2