(4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-4-[3-(1-imidazolyl)propyliminomethyl]-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-4-(3-imidazol-1-ylpropyliminomethyl)-2-(3-methoxyphenyl)-4H-isoquinoline-1,3-quinone Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCCCN4C=CN=C4

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCCCN4C=CN=C4

InChI

InChI=1S/C23H22N4O3/c1-30-18-7-4-6-17(14-18)27-22(28)20-9-3-2-8-19(20)21(23(27)29)15-24-10-5-12-26-13-11-25-16-26/h2-4,6-9,11,13-16,21H,5,10,12H2,1H3/t21-/m1/s1