2-(5-bromanylpyridin-2-yl)-4-[[(3,4-dimethylphenyl)amino]methylidene]isoquinoline-1,3-dione

Systemtic Name: 2-(5-bromanylpyridin-2-yl)-4-[[(3,4-dimethylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-bromo-2-pyridyl)-4-[(3,4-dimethylanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(5-bromo-2-pyridinyl)-4-[(3,4-dimethylanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-bromopyridin-2-yl)-4-[(3,4-dimethylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-bromo-2-pyridyl)-4-[(3,4-dimethylanilino)methylene]isoquinoline-1,3-quinone Formula: C23H18BrN3O2 MolecularWeight: 448.31192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Br)C

InChI

InChI=1S/C23H18BrN3O2/c1-14-7-9-17(11-15(14)2)25-13-20-18-5-3-4-6-19(18)22(28)27(23(20)29)21-10-8-16(24)12-26-21/h3-13,25H,1-2H3