(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrrol-1-ylphenyl)methanone

Systemtic Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrrol-1-ylphenyl)methanone Openeye Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrrol-1-ylphenyl)methanone CAS Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[4-(1-pyrrolyl)phenyl]methanone IUPAC Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrrol-1-ylphenyl)methanone Traditional Name: (6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-pyrrol-1-ylphenyl)methanone Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)N4C=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)C3=CC=C(C=C3)N4C=CC=C4)OC

InChI

InChI=1S/C22H22N2O3/c1-26-20-13-17-9-12-24(15-18(17)14-21(20)27-2)22(25)16-5-7-19(8-6-16)23-10-3-4-11-23/h3-8,10-11,13-14H,9,12,15H2,1-2H3