2-[6,7-dimethoxy-2-[(2-methyl-3H-benzimidazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-2-[(2-methyl-3H-benzimidazol-5-yl)carbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-2-(2-methyl-3H-benzimidazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-2-[(2-methyl-3H-benzimidazol-5-yl)-oxomethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-2-(2-methyl-3H-benzimidazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[6,7-dimethoxy-2-(2-methyl-3H-benzimidazole-5-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC4=CC(=C(C=C4C3CC#N)OC)OC

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)C(=O)N3CCC4=CC(=C(C=C4C3CC#N)OC)OC

InChI

InChI=1S/C22H22N4O3/c1-13-24-17-5-4-15(10-18(17)25-13)22(27)26-9-7-14-11-20(28-2)21(29-3)12-16(14)19(26)6-8-23/h4-5,10-12,19H,6-7,9H2,1-3H3,(H,24,25)