4-butanoyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one

Systemtic Name: 4-butanoyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 4-butanoyl-1-methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 1-methyl-4-(1-oxobutyl)-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 4-butanoyl-1-methyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 4-butyryl-1-methyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C19H22N2O2 MolecularWeight: 310.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C2CCC(CC2=C(NC1=O)C)C3=CC=NC=C3

Isomeric SMILES

CCCC(=O)C1=C2CCC(CC2=C(NC1=O)C)C3=CC=NC=C3

InChI

InChI=1S/C19H22N2O2/c1-3-4-17(22)18-15-6-5-14(13-7-9-20-10-8-13)11-16(15)12(2)21-19(18)23/h7-10,14H,3-6,11H2,1-2H3,(H,21,23)