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

Systemtic Name: 1-butyl-4-ethanoyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Openeye Name: 4-acetyl-1-butyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one CAS Name: 4-acetyl-1-butyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one IUPAC Name: 4-acetyl-1-butyl-7-pyridin-4-yl-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Traditional Name: 4-acetyl-1-butyl-7-(4-pyridyl)-5,6,7,8-tetrahydro-2H-isoquinolin-3-one Formula: C20H24N2O2 MolecularWeight: 324.41676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2CC(CCC2=C(C(=O)N1)C(=O)C)C3=CC=NC=C3

Isomeric SMILES

CCCCC1=C2CC(CCC2=C(C(=O)N1)C(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C20H24N2O2/c1-3-4-5-18-17-12-15(14-8-10-21-11-9-14)6-7-16(17)19(13(2)23)20(24)22-18/h8-11,15H,3-7,12H2,1-2H3,(H,22,24)