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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC4=CC=NC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC4=CC=NC=C4)OC

InChI

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