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

Systemtic Name: 2-(5-bromanylpyridin-2-yl)-4-[[(4-butylphenyl)amino]methylidene]isoquinoline-1,3-dione Openeye Name: 2-(5-bromo-2-pyridyl)-4-[(4-butylanilino)methylene]isoquinoline-1,3-dione CAS Name: 2-(5-bromo-2-pyridinyl)-4-[(4-butylanilino)methylidene]isoquinoline-1,3-dione IUPAC Name: 2-(5-bromopyridin-2-yl)-4-[(4-butylanilino)methylidene]isoquinoline-1,3-dione Traditional Name: 2-(5-bromo-2-pyridyl)-4-[(4-butylanilino)methylene]isoquinoline-1,3-quinone Formula: C25H22BrN3O2 MolecularWeight: 476.36508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Br

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC=C2C3=CC=CC=C3C(=O)N(C2=O)C4=NC=C(C=C4)Br

InChI

InChI=1S/C25H22BrN3O2/c1-2-3-6-17-9-12-19(13-10-17)27-16-22-20-7-4-5-8-21(20)24(30)29(25(22)31)23-14-11-18(26)15-28-23/h4-5,7-16,27H,2-3,6H2,1H3