4-[(3-ethanoylphenyl)amino]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one

Systemtic Name: 4-[(3-ethanoylphenyl)amino]-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Openeye Name: 4-(3-acetylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one CAS Name: 4-(3-acetylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one IUPAC Name: 4-(3-acetylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Traditional Name: 4-(3-acetylanilino)-5,6,7,8-tetrahydro-2H-isoquinolin-1-one Formula: C17H18N2O2 MolecularWeight: 282.33702

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC2=CNC(=O)C3=C2CCCC3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC2=CNC(=O)C3=C2CCCC3

InChI

InChI=1S/C17H18N2O2/c1-11(20)12-5-4-6-13(9-12)19-16-10-18-17(21)15-8-3-2-7-14(15)16/h4-6,9-10,19H,2-3,7-8H2,1H3,(H,18,21)