N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-acetyl-N-[2-(1,3-benzodioxol-5-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-acetyl-N-homopiperonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22N2O4/c1-14(24)23-12-17-5-3-2-4-16(17)11-18(23)21(25)22-9-8-15-6-7-19-20(10-15)27-13-26-19/h2-7,10,18H,8-9,11-13H2,1H3,(H,22,25)