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

Systemtic Name: (4S)-2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2-methoxyphenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2-methoxyphenyl)-4-(2-pyridinylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2-methoxyphenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2-methoxyphenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C23H19N3O3 MolecularWeight: 385.41526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC4=CC=CC=N4

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC4=CC=CC=N4

InChI

InChI=1S/C23H19N3O3/c1-29-21-12-5-4-11-20(21)26-22(27)18-10-3-2-9-17(18)19(23(26)28)15-24-14-16-8-6-7-13-25-16/h2-13,15,19H,14H2,1H3/t19-/m1/s1