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

Systemtic Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] pyridine-3-carboxylate Openeye Name: [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] pyridine-3-carboxylate CAS Name: 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] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C25H20FN5O4 MolecularWeight: 473.455803

Click to see the large picture

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=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H20FN5O4/c1-2-20(32)16-6-7-18(26)22(23(16)35-24(33)15-4-3-9-28-13-15)17-10-19(17)30-25(34)31-21-8-5-14(11-27)12-29-21/h3-9,12-13,17,19H,2,10H2,1H3,(H2,29,30,31,34)