4-[[(5-chloranyl-2-methyl-phenyl)amino]methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione

Systemtic Name: 4-[[(5-chloranyl-2-methyl-phenyl)amino]methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione Openeye Name: 4-[(5-chloro-2-methyl-anilino)methylene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione CAS Name: 4-[(5-chloro-2-methylanilino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione IUPAC Name: 4-[(5-chloro-2-methylanilino)methylidene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-dione Traditional Name: 4-[(5-chloro-2-methyl-anilino)methylene]-2-(2,4-dimethylphenyl)isoquinoline-1,3-quinone Formula: C25H21ClN2O2 MolecularWeight: 416.89944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=C(C=CC(=C4)Cl)C)C2=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3C(=CNC4=C(C=CC(=C4)Cl)C)C2=O)C

InChI

InChI=1S/C25H21ClN2O2/c1-15-8-11-23(17(3)12-15)28-24(29)20-7-5-4-6-19(20)21(25(28)30)14-27-22-13-18(26)10-9-16(22)2/h4-14,27H,1-3H3