(3R)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-2-[2-keto-2-(piperonylamino)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1[C@@H](N(CC2=CC=CC=C21)CC(=O)NCC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C20H21N3O4/c21-20(25)16-8-14-3-1-2-4-15(14)10-23(16)11-19(24)22-9-13-5-6-17-18(7-13)27-12-26-17/h1-7,16H,8-12H2,(H2,21,25)(H,22,24)/t16-/m1/s1