[2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] pyridine-4-carboxylate

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] pyridine-4-carboxylate Openeye Name: [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] pyridine-4-carboxylate CAS Name: 4-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] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C24H20BrFN4O4 MolecularWeight: 527.342403

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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=CC=NC=C4

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=CC=NC=C4

InChI

InChI=1S/C24H20BrFN4O4/c1-2-19(31)15-4-5-17(26)21(22(15)34-23(32)13-7-9-27-10-8-13)16-11-18(16)29-24(33)30-20-6-3-14(25)12-28-20/h3-10,12,16,18H,2,11H2,1H3,(H2,28,29,30,33)