N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-isobutyl-6,7-dimethoxy-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-6,7-dimethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-isobutyl-1-keto-6,7-dimethoxy-isoquinoline-4-carboxamide Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C)CN1C=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)NCC3COC4=CC=CC=C4O3

InChI

InChI=1S/C25H28N2O6/c1-15(2)12-27-13-19(17-9-22(30-3)23(31-4)10-18(17)25(27)29)24(28)26-11-16-14-32-20-7-5-6-8-21(20)33-16/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,26,28)