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

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine Openeye Name: 1-(3-amino-4-chloro-phenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine CAS Name: 1-(3-amino-4-chlorophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine IUPAC Name: 1-(3-amino-4-chlorophenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; N-ethylethanamine Traditional Name: 1-(3-amino-4-chloro-phenyl)-4-ethyl-2,4-dihydro-1H-isoquinolin-3-one; diethylamine Formula: C21H28ClN3O MolecularWeight: 373.91952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN2O.C4H11N/c1-2-11-12-5-3-4-6-13(12)16(20-17(11)21)10-7-8-14(18)15(19)9-10;1-3-5-4-2/h3-9,11,16H,2,19H2,1H3,(H,20,21);5H,3-4H2,1-2H3