N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C23H27N3O6/c1-29-19-11-15-6-8-26(14-16(15)12-20(19)30-2)23(28)24-7-5-22(27)25-17-3-4-18-21(13-17)32-10-9-31-18/h3-4,11-13H,5-10,14H2,1-2H3,(H,24,28)(H,25,27)