1-(4-aminophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine

Systemtic Name: 1-(4-aminophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine Openeye Name: 1-(4-aminophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine CAS Name: 1-(4-aminophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine IUPAC Name: 1-(4-aminophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine Traditional Name: 1-(4-aminophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; diethylamine Formula: C21H29N3O MolecularWeight: 339.47446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)N.CCNCC

Isomeric SMILES

CCC1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)N.CCNCC

InChI

InChI=1S/C17H18N2O.C4H11N/c1-2-13-14-5-3-4-6-15(14)16(19-17(13)20)11-7-9-12(18)10-8-11;1-3-5-4-2/h3-10,13,16H,2,18H2,1H3,(H,19,20);5H,3-4H2,1-2H3