4-[(4-quinolin-2-ylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(4-quinolin-2-ylcarbonylpiperazin-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo(2-quinolinyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(quinoline-2-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[(4-quinaldoylpiperazino)methyl]benzonitrile Formula: C22H20N4O MolecularWeight: 356.4204

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H20N4O/c23-15-17-5-7-18(8-6-17)16-25-11-13-26(14-12-25)22(27)21-10-9-19-3-1-2-4-20(19)24-21/h1-10H,11-14,16H2