N-(2-bromanyl-4-methyl-phenyl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(2-bromo-4-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(3,4-dimethylphenyl)-1-keto-isoquinoline-4-carboxamide Formula: C25H21BrN2O2 MolecularWeight: 461.35044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CN(C(=O)C3=CC=CC=C32)C4=CC(=C(C=C4)C)C)Br

InChI

InChI=1S/C25H21BrN2O2/c1-15-8-11-23(22(26)12-15)27-24(29)21-14-28(18-10-9-16(2)17(3)13-18)25(30)20-7-5-4-6-19(20)21/h4-14H,1-3H3,(H,27,29)