4-[[5-[[4-(2-methoxyquinolin-4-yl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[4-(2-methoxyquinolin-4-yl)carbonylpiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[(2-methoxy-4-quinolinyl)-oxomethyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(2-methoxyquinoline-4-carbonyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C27H26N6O2 MolecularWeight: 466.53434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)CC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H26N6O2/c1-35-26-14-24(23-4-2-3-5-25(23)30-26)27(34)32-12-10-31(11-13-32)18-22-16-29-19-33(22)17-21-8-6-20(15-28)7-9-21/h2-9,14,16,19H,10-13,17-18H2,1H3