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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(C3=CC=CC=C3C2=O)C=NCC4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)[C@@H](C3=CC=CC=C3C2=O)C=NCC4=CC=NC=C4)C

InChI

InChI=1S/C24H21N3O2/c1-16-7-8-19(13-17(16)2)27-23(28)21-6-4-3-5-20(21)22(24(27)29)15-26-14-18-9-11-25-12-10-18/h3-13,15,22H,14H2,1-2H3/t22-/m1/s1