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

Systemtic Name: N-ethylethanamine; 4-ethyl-1-(4-methylphenyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: N-ethylethanamine; 4-ethyl-1-(p-tolyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: N-ethylethanamine; 4-ethyl-1-(4-methylphenyl)-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: N-ethylethanamine; 4-ethyl-1-(4-methylphenyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: diethylamine; 4-ethyl-1-(p-tolyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C22H30N2O MolecularWeight: 338.4864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO.C4H11N/c1-3-14-15-6-4-5-7-16(15)17(19-18(14)20)13-10-8-12(2)9-11-13;1-3-5-4-2/h4-11,14,17H,3H2,1-2H3,(H,19,20);5H,3-4H2,1-2H3