N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-methyl-benzamide

Systemtic Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-3-methyl-benzamide Openeye Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-3-methyl-benzamide CAS Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methylbenzamide IUPAC Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-methylbenzamide Traditional Name: N-[2-(6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-3-methyl-benzamide Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=CC(=CC=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C2CN(CCC2=C1)C(=O)CNC(=O)C3=CC(=CC=C3)C)OCC

InChI

InChI=1S/C23H28N2O4/c1-4-28-20-12-17-9-10-25(15-19(17)13-21(20)29-5-2)22(26)14-24-23(27)18-8-6-7-16(3)11-18/h6-8,11-13H,4-5,9-10,14-15H2,1-3H3,(H,24,27)