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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-(4-bromo-3-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-(4-bromo-3-methylphenyl)-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-1-keto-2H-isoquinoline-3-carboxamide Formula: C17H13BrN2O2 MolecularWeight: 357.20132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=CC3=CC=CC=C3C(=O)N2)Br

InChI

InChI=1S/C17H13BrN2O2/c1-10-8-12(6-7-14(10)18)19-17(22)15-9-11-4-2-3-5-13(11)16(21)20-15/h2-9H,1H3,(H,19,22)(H,20,21)