[2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluoranyl-phenyl] 6-azanylpyridine-3-carboxylate

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluoranyl-phenyl] 6-azanylpyridine-3-carboxylate Openeye Name: [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluoro-phenyl] 6-aminopyridine-3-carboxylate CAS Name: 6-amino-3-pyridinecarboxylic acid [2-[2-[[[(5-bromo-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxobutyl)phenyl] ester IUPAC Name: [2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-6-butanoyl-3-fluorophenyl] 6-aminopyridine-3-carboxylate Traditional Name: 6-aminonicotinic acid [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-6-butyryl-3-fluoro-phenyl] ester Formula: C25H23BrFN5O4 MolecularWeight: 556.383623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=CN=C(C=C4)N

Isomeric SMILES

CCCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=CN=C(C=C4)N

InChI

InChI=1S/C25H23BrFN5O4/c1-2-3-19(33)15-6-7-17(27)22(23(15)36-24(34)13-4-8-20(28)29-11-13)16-10-18(16)31-25(35)32-21-9-5-14(26)12-30-21/h4-9,11-12,16,18H,2-3,10H2,1H3,(H2,28,29)(H2,30,31,32,35)