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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O2/c1-16-9-10-19(12-17(16)2)27-23(28)21-8-4-3-7-20(21)22(24(27)29)15-26-14-18-6-5-11-25-13-18/h3-13,15,22H,14H2,1-2H3/t22-/m0/s1