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

Systemtic Name: [4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone Openeye Name: [4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidyl]-(2-pyrrol-1-ylphenyl)methanone CAS Name: [4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-1-piperidinyl]-[2-(1-pyrrolyl)phenyl]methanone IUPAC Name: [4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(2-pyrrol-1-ylphenyl)methanone Traditional Name: [4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)piperidino]-(2-pyrrol-1-ylphenyl)methanone Formula: C27H31N3O3 MolecularWeight: 445.55334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3CCN(CC3)C(=O)C4=CC=CC=C4N5C=CC=C5)OC

InChI

InChI=1S/C27H31N3O3/c1-32-25-17-20-9-14-30(19-21(20)18-26(25)33-2)22-10-15-29(16-11-22)27(31)23-7-3-4-8-24(23)28-12-5-6-13-28/h3-8,12-13,17-18,22H,9-11,14-16,19H2,1-2H3