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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxidanylidene-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxo-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[3-(1,3-benzodioxol-5-ylamino)-3-keto-propyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C22H25N3O6 MolecularWeight: 427.4504

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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)OCO4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)NCCC(=O)NC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H25N3O6/c1-28-18-9-14-6-8-25(12-15(14)10-19(18)29-2)22(27)23-7-5-21(26)24-16-3-4-17-20(11-16)31-13-30-17/h3-4,9-11H,5-8,12-13H2,1-2H3,(H,23,27)(H,24,26)