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

Systemtic Name: N-ethylethanamine; 4-ethyl-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: N-ethylethanamine; 4-ethyl-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: N-ethylethanamine; 4-ethyl-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: N-ethylethanamine; 4-ethyl-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: diethylamine; 4-ethyl-1-(4-nitrophenyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)[N+](=O)[O-].CCNCC

Isomeric SMILES

CCC1C2=CC=CC=C2C(NC1=O)C3=CC=C(C=C3)[N+](=O)[O-].CCNCC

InChI

InChI=1S/C17H16N2O3.C4H11N/c1-2-13-14-5-3-4-6-15(14)16(18-17(13)20)11-7-9-12(10-8-11)19(21)22;1-3-5-4-2/h3-10,13,16H,2H2,1H3,(H,18,20);5H,3-4H2,1-2H3