3-[2-[4-(1,5-dimethylpyrazol-3-yl)carbonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[4-(1,5-dimethylpyrazol-3-yl)carbonylpiperazin-1-yl]quinolin-8-yl]benzenecarbonitrile Openeye Name: 3-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]-8-quinolyl]benzonitrile CAS Name: 3-[2-[4-[(1,5-dimethyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-8-quinolinyl]benzonitrile IUPAC Name: 3-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinolin-8-yl]benzonitrile Traditional Name: 3-[2-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazino]-8-quinolyl]benzonitrile Formula: C26H24N6O MolecularWeight: 436.50836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

Isomeric SMILES

CC1=CC(=NN1C)C(=O)N2CCN(CC2)C3=NC4=C(C=CC=C4C5=CC=CC(=C5)C#N)C=C3

InChI

InChI=1S/C26H24N6O/c1-18-15-23(29-30(18)2)26(33)32-13-11-31(12-14-32)24-10-9-20-6-4-8-22(25(20)28-24)21-7-3-5-19(16-21)17-27/h3-10,15-16H,11-14H2,1-2H3