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

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-6-ethanoyl-3-fluoranyl-phenyl] 6-azanylpyridine-3-carboxylate Openeye Name: [6-acetyl-2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] 6-aminopyridine-3-carboxylate CAS Name: 6-amino-3-pyridinecarboxylic acid [6-acetyl-2-[2-[[[(5-bromo-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluorophenyl] ester IUPAC Name: [6-acetyl-2-[2-[(5-bromopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluorophenyl] 6-aminopyridine-3-carboxylate Traditional Name: 6-aminonicotinic acid [6-acetyl-2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-phenyl] ester Formula: C23H19BrFN5O4 MolecularWeight: 528.330463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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

CC(=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/C23H19BrFN5O4/c1-11(31)14-4-5-16(25)20(21(14)34-22(32)12-2-6-18(26)27-9-12)15-8-17(15)29-23(33)30-19-7-3-13(24)10-28-19/h2-7,9-10,15,17H,8H2,1H3,(H2,26,27)(H2,28,29,30,33)