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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-(3,4-dimethylphenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-(3,4-dimethylphenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: N-(4-bromo-2-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=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=C(C=C4)Br)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=C(C=C4)Br)C)C

InChI

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