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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N3O3/c1-29-18-9-6-8-17(13-18)26-22(27)20-11-3-2-10-19(20)21(23(26)28)15-24-14-16-7-4-5-12-25-16/h2-13,15,21H,14H2,1H3/t21-/m1/s1