N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-2-(furan-2-ylcarbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-[2-furanyl(oxo)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-2-(2-furoyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H22BrN3O4 MolecularWeight: 496.35318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2CC3=CC=CC=C3CN2C(=O)C4=CC=CO4

InChI

InChI=1S/C24H22BrN3O4/c1-15-11-18(25)8-9-19(15)27-22(29)13-26-23(30)20-12-16-5-2-3-6-17(16)14-28(20)24(31)21-7-4-10-32-21/h2-11,20H,12-14H2,1H3,(H,26,30)(H,27,29)