2-[[(3S,4S)-2-ethyl-1-oxidanylidene-3-propyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[(3S,4S)-2-ethyl-1-oxidanylidene-3-propyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[[(3S,4S)-2-ethyl-1-oxo-3-propyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-dione CAS Name: 2-[[(3S,4S)-2-ethyl-1-oxo-3-propyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione IUPAC Name: 2-[[(3S,4S)-2-ethyl-1-oxo-3-propyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindole-1,3-dione Traditional Name: 2-[[(3S,4S)-2-ethyl-1-keto-3-propyl-3,4-dihydroisoquinolin-4-yl]methyl]isoindoline-1,3-quinone Formula: C23H24N2O3 MolecularWeight: 376.44826

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(C2=CC=CC=C2C(=O)N1CC)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCC[C@H]1[C@@H](C2=CC=CC=C2C(=O)N1CC)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N2O3/c1-3-9-20-19(15-10-5-6-11-16(15)21(26)24(20)4-2)14-25-22(27)17-12-7-8-13-18(17)23(25)28/h5-8,10-13,19-20H,3-4,9,14H2,1-2H3/t19-,20+/m1/s1