4-[[5-[(4-isoquinolin-1-ylcarbonylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[(4-isoquinolin-1-ylcarbonylpiperazin-1-yl)methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[4-(isoquinoline-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[4-[1-isoquinolinyl(oxo)methyl]-1-piperazinyl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[4-(isoquinoline-1-carbonyl)piperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[4-(isoquinoline-1-carbonyl)piperazino]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C26H24N6O MolecularWeight: 436.50836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)C4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C26H24N6O/c27-15-20-5-7-21(8-6-20)17-32-19-28-16-23(32)18-30-11-13-31(14-12-30)26(33)25-24-4-2-1-3-22(24)9-10-29-25/h1-10,16,19H,11-14,17-18H2