1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-pyrrol-5-yl)-6,7-dimethoxy-isoquinoline

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-pyrrol-5-yl)-6,7-dimethoxy-isoquinoline Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-pyrrol-5-yl)-6,7-dimethoxy-isoquinoline CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-pyrrol-5-yl)-6,7-dimethoxyisoquinoline IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydro-1H-pyrrol-5-yl)-6,7-dimethoxyisoquinoline Traditional Name: 6,7-dimethoxy-1-piperonyl-4-(2-pyrrolin-2-yl)isoquinoline Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=CN=C2CC3=CC4=C(C=C3)OCO4)C5=CCCN5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=CN=C2CC3=CC4=C(C=C3)OCO4)C5=CCCN5)OC

InChI

InChI=1S/C23H22N2O4/c1-26-21-10-15-16(11-22(21)27-2)19(25-12-17(15)18-4-3-7-24-18)8-14-5-6-20-23(9-14)29-13-28-20/h4-6,9-12,24H,3,7-8,13H2,1-2H3