4-[[5-[[2-(3-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[2-(3-methoxyphenyl)carbonyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[2-(3-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[2-[(3-methoxyphenyl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-3-yl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[2-(3-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-3-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[(2-m-anisoyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]imidazol-1-yl]methyl]benzonitrile Formula: C29H26N4O2 MolecularWeight: 462.54234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2CC4=CN=CN4CC5=CC=C(C=C5)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CC3=CC=CC=C3CC2CC4=CN=CN4CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C29H26N4O2/c1-35-28-8-4-7-24(14-28)29(34)33-19-25-6-3-2-5-23(25)13-26(33)15-27-17-31-20-32(27)18-22-11-9-21(16-30)10-12-22/h2-12,14,17,20,26H,13,15,18-19H2,1H3