2-[6,7-dimethoxy-2-(2-phenyl-2-pyrrol-1-yl-ethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile

Systemtic Name: 2-[6,7-dimethoxy-2-(2-phenyl-2-pyrrol-1-yl-ethanoyl)-3,4-dihydro-1H-isoquinolin-1-yl]ethanenitrile Openeye Name: 2-[6,7-dimethoxy-2-(2-phenyl-2-pyrrol-1-yl-acetyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile CAS Name: 2-[6,7-dimethoxy-2-[1-oxo-2-phenyl-2-(1-pyrrolyl)ethyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile IUPAC Name: 2-[6,7-dimethoxy-2-(2-phenyl-2-pyrrol-1-ylacetyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Traditional Name: 2-[6,7-dimethoxy-2-(2-phenyl-2-pyrrol-1-yl-acetyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetonitrile Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C(C3=CC=CC=C3)N4C=CC=C4)CC#N)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)C(C3=CC=CC=C3)N4C=CC=C4)CC#N)OC

InChI

InChI=1S/C25H25N3O3/c1-30-22-16-19-11-15-28(21(10-12-26)20(19)17-23(22)31-2)25(29)24(27-13-6-7-14-27)18-8-4-3-5-9-18/h3-9,13-14,16-17,21,24H,10-11,15H2,1-2H3