N-ethylethanamine; 4-ethyl-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: N-ethylethanamine; 4-ethyl-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: N-ethylethanamine; 4-ethyl-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one CAS Name: N-ethylethanamine; 4-ethyl-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: N-ethylethanamine; 4-ethyl-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: diethylamine; 4-ethyl-1-phenyl-2,4-dihydro-1H-isoquinolin-3-one Formula: C21H28N2O MolecularWeight: 324.45982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO.C4H11N/c1-2-13-14-10-6-7-11-15(14)16(18-17(13)19)12-8-4-3-5-9-12;1-3-5-4-2/h3-11,13,16H,2H2,1H3,(H,18,19);5H,3-4H2,1-2H3