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

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[(1S)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]-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:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C22H25N3O6/c1-13(21(26)24-16-4-5-17-20(10-16)31-12-30-17)23-22(27)25-7-6-14-8-18(28-2)19(29-3)9-15(14)11-25/h4-5,8-10,13H,6-7,11-12H2,1-3H3,(H,23,27)(H,24,26)/t13-/m0/s1