(4S)-2-(2,5-dimethoxyphenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione

Systemtic Name: (4S)-2-(2,5-dimethoxyphenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2,5-dimethoxyphenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2,5-dimethoxyphenyl)-4-(2-pyridinylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2,5-dimethoxyphenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2,5-dimethoxyphenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC4=CC=CC=N4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC4=CC=CC=N4

InChI

InChI=1S/C24H21N3O4/c1-30-17-10-11-22(31-2)21(13-17)27-23(28)19-9-4-3-8-18(19)20(24(27)29)15-25-14-16-7-5-6-12-26-16/h3-13,15,20H,14H2,1-2H3/t20-/m1/s1