2-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-1-(3-propan-2-yloxyphenyl)carbonyl-isoquinolin-4-yl]ethanenitrile Openeye Name: 2-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]acetonitrile CAS Name: 2-[6,7-dimethoxy-1-[oxo-(3-propan-2-yloxyphenyl)methyl]-4-isoquinolinyl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-1-(3-propan-2-yloxybenzoyl)isoquinolin-4-yl]acetonitrile Traditional Name: 2-[1-(3-isopropoxybenzoyl)-6,7-dimethoxy-4-isoquinolyl]acetonitrile Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)C2=NC=C(C3=CC(=C(C=C32)OC)OC)CC#N

InChI

InChI=1S/C23H22N2O4/c1-14(2)29-17-7-5-6-15(10-17)23(26)22-19-12-21(28-4)20(27-3)11-18(19)16(8-9-24)13-25-22/h5-7,10-14H,8H2,1-4H3