N-(2-but-3-enoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-methoxyphenyl)propanamide

Systemtic Name: N-(2-but-3-enoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-methoxyphenyl)propanamide Openeye Name: N-(2-but-3-enoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-methoxyphenyl)propanamide CAS Name: 3-(2-methoxyphenyl)-N-[2-(1-oxobut-3-enyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide IUPAC Name: N-(2-but-3-enoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-methoxyphenyl)propanamide Traditional Name: N-(2-but-3-enoyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-(2-methoxyphenyl)propionamide Formula: C23H26N2O3 MolecularWeight: 378.46414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)C(=O)CC=C)C=C2

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=CC3=C(CCN(C3)C(=O)CC=C)C=C2

InChI

InChI=1S/C23H26N2O3/c1-3-6-23(27)25-14-13-17-9-11-20(15-19(17)16-25)24-22(26)12-10-18-7-4-5-8-21(18)28-2/h3-5,7-9,11,15H,1,6,10,12-14,16H2,2H3,(H,24,26)