N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-[(1,3-benzodioxol-5-ylmethylamino)-oxomethyl]phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 6,7-dimethoxy-N-[3-(piperonylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NC3=CC=CC(=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C27H27N3O6/c1-33-23-12-18-8-9-30(15-20(18)13-24(23)34-2)27(32)29-21-5-3-4-19(11-21)26(31)28-14-17-6-7-22-25(10-17)36-16-35-22/h3-7,10-13H,8-9,14-16H2,1-2H3,(H,28,31)(H,29,32)