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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4

InChI

InChI=1S/C24H27N3O3/c1-18-6-4-7-19(16-18)27-23(28)21-9-3-2-8-20(21)22(24(27)29)17-25-10-5-11-26-12-14-30-15-13-26/h2-4,6-9,16-17,22H,5,10-15H2,1H3/t22-/m1/s1