4-[[5-[[7-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[5-[[7-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]imidazol-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[5-[[7-(o-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]imidazol-1-yl]methyl]benzonitrile CAS Name: 4-[[5-[[7-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-1-imidazolyl]methyl]benzonitrile IUPAC Name: 4-[[5-[[7-(2-methylphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]imidazol-1-yl]methyl]benzonitrile Traditional Name: 4-[[5-[[7-(o-tolyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]imidazol-1-yl]methyl]benzonitrile Formula: C28H26N4 MolecularWeight: 418.53284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC3=C(CCN(C3)CC4=CN=CN4CC5=CC=C(C=C5)C#N)C=C2

Isomeric SMILES

CC1=CC=CC=C1C2=CC3=C(CCN(C3)CC4=CN=CN4CC5=CC=C(C=C5)C#N)C=C2

InChI

InChI=1S/C28H26N4/c1-21-4-2-3-5-28(21)25-11-10-24-12-13-31(18-26(24)14-25)19-27-16-30-20-32(27)17-23-8-6-22(15-29)7-9-23/h2-11,14,16,20H,12-13,17-19H2,1H3