methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[2-(butylamino)-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-[2-(butylamino)-2-oxidanylidene-ethyl]-1,3-bis(oxidanylidene)isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-bromo-2-fluoro-phenyl)methyl]-4-[2-(butylamino)-2-oxo-ethyl]-1,3-dioxo-isoquinoline-4-carboxylate CAS Name: 2-[(4-bromo-2-fluorophenyl)methyl]-4-[2-(butylamino)-2-oxoethyl]-1,3-dioxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-bromo-2-fluorophenyl)methyl]-4-[2-(butylamino)-2-oxoethyl]-1,3-dioxoisoquinoline-4-carboxylate Traditional Name: 2-(4-bromo-2-fluoro-benzyl)-4-[2-(butylamino)-2-keto-ethyl]-1,3-diketo-isoquinoline-4-carboxylic acid methyl ester Formula: C24H24BrFN2O5 MolecularWeight: 519.360163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CC1(C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F)C(=O)OC

Isomeric SMILES

CCCCNC(=O)CC1(C2=CC=CC=C2C(=O)N(C1=O)CC3=C(C=C(C=C3)Br)F)C(=O)OC

InChI

InChI=1S/C24H24BrFN2O5/c1-3-4-11-27-20(29)13-24(23(32)33-2)18-8-6-5-7-17(18)21(30)28(22(24)31)14-15-9-10-16(25)12-19(15)26/h5-10,12H,3-4,11,13-14H2,1-2H3,(H,27,29)