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

Systemtic Name: (4S)-2-(2-ethylphenyl)-4-(3-morpholin-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-ethylphenyl)-4-(3-morpholinopropyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-ethylphenyl)-4-[3-(4-morpholinyl)propyliminomethyl]-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-ethylphenyl)-4-(3-morpholin-4-ylpropyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-ethylphenyl)-4-(3-morpholinopropyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C25H29N3O3 MolecularWeight: 419.51606

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCN4CCOCC4

InChI

InChI=1S/C25H29N3O3/c1-2-19-8-3-6-11-23(19)28-24(29)21-10-5-4-9-20(21)22(25(28)30)18-26-12-7-13-27-14-16-31-17-15-27/h3-6,8-11,18,22H,2,7,12-17H2,1H3/t22-/m1/s1