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

Systemtic Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenyl] ester IUPAC Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C25H19BrFN5O4 MolecularWeight: 552.351863

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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)C#N)OC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H19BrFN5O4/c1-2-20(33)16-4-5-18(27)22(23(16)36-24(34)14-7-15(26)12-29-11-14)17-8-19(17)31-25(35)32-21-6-3-13(9-28)10-30-21/h3-7,10-12,17,19H,2,8H2,1H3,(H2,30,31,32,35)