(4S)-2-(2-methylphenyl)-4-(3-morpholin-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(2-methylphenyl)-4-(3-morpholin-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-morpholinopropyliminomethyl)-2-(o-tolyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-methylphenyl)-4-[3-(4-morpholinyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-methylphenyl)-4-(3-morpholin-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-morpholinopropyliminomethyl)-2-(o-tolyl)-4H-isoquinoline-1,3-quinone Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4

InChI

InChI=1S/C24H27N3O3/c1-18-7-2-5-10-22(18)27-23(28)20-9-4-3-8-19(20)21(24(27)29)17-25-11-6-12-26-13-15-30-16-14-26/h2-5,7-10,17,21H,6,11-16H2,1H3/t21-/m1/s1