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

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 6-azanylpyridine-3-carboxylate Openeye Name: [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-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-oxopropyl)phenyl] ester IUPAC Name: [2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl] 6-aminopyridine-3-carboxylate Traditional Name: 6-aminonicotinic acid [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C24H21BrFN5O4 MolecularWeight: 542.357043

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CCC(=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/C24H21BrFN5O4/c1-2-18(32)14-5-6-16(26)21(22(14)35-23(33)12-3-7-19(27)28-10-12)15-9-17(15)30-24(34)31-20-8-4-13(25)11-29-20/h3-8,10-11,15,17H,2,9H2,1H3,(H2,27,28)(H2,29,30,31,34)