N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-diethoxy-benzamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-diethoxy-benzamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-diethoxy-benzamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-diethoxybenzamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-diethoxybenzamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3,4-diethoxy-benzamide Formula: C24H28N2O4 MolecularWeight: 408.49012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC3=C(CCN(C3)C(=O)C4CC4)C=C2)OCC

InChI

InChI=1S/C24H28N2O4/c1-3-29-21-10-8-18(14-22(21)30-4-2)23(27)25-20-9-7-16-11-12-26(15-19(16)13-20)24(28)17-5-6-17/h7-10,13-14,17H,3-6,11-12,15H2,1-2H3,(H,25,27)