N-ethylethanamine; N-[4-(4-ethyl-3-oxidanylidene-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanamide

Systemtic Name: N-ethylethanamine; N-[4-(4-ethyl-3-oxidanylidene-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]ethanamide Openeye Name: N-ethylethanamine; N-[4-(4-ethyl-3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide CAS Name: N-ethylethanamine; N-[4-(4-ethyl-3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide IUPAC Name: N-ethylethanamine; N-[4-(4-ethyl-3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide Traditional Name: diethylamine; N-[4-(4-ethyl-3-keto-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide Formula: C23H31N3O2 MolecularWeight: 381.51114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2.C4H11N/c1-3-15-16-6-4-5-7-17(16)18(21-19(15)23)13-8-10-14(11-9-13)20-12(2)22;1-3-5-4-2/h4-11,15,18H,3H2,1-2H3,(H,20,22)(H,21,23);5H,3-4H2,1-2H3