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

Systemtic Name: (4S)-2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Openeye Name: (4S)-2-(2,4-dimethylphenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-dione CAS Name: (4S)-2-(2,4-dimethylphenyl)-4-(2-pyridinylmethyliminomethyl)-4H-isoquinoline-1,3-dione IUPAC Name: (4S)-2-(2,4-dimethylphenyl)-4-(pyridin-2-ylmethyliminomethyl)-4H-isoquinoline-1,3-dione Traditional Name: (4S)-2-(2,4-dimethylphenyl)-4-(2-pyridylmethyliminomethyl)-4H-isoquinoline-1,3-quinone Formula: C24H21N3O2 MolecularWeight: 383.44244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC4=CC=CC=N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC4=CC=CC=N4)C

InChI

InChI=1S/C24H21N3O2/c1-16-10-11-22(17(2)13-16)27-23(28)20-9-4-3-8-19(20)21(24(27)29)15-25-14-18-7-5-6-12-26-18/h3-13,15,21H,14H2,1-2H3/t21-/m1/s1