[2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 1H-indole-4-carboxylate

Systemtic Name: [2-[2-[(5-bromanylpyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] 1H-indole-4-carboxylate Openeye Name: [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] 1H-indole-4-carboxylate CAS Name: 1H-indole-4-carboxylic 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] 1H-indole-4-carboxylate Traditional Name: 1H-indole-4-carboxylic acid [2-[2-[(5-bromo-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] ester Formula: C27H22BrFN4O4 MolecularWeight: 565.390383

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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=C5C=CNC5=CC=C4

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=C5C=CNC5=CC=C4

InChI

InChI=1S/C27H22BrFN4O4/c1-2-22(34)17-7-8-19(29)24(18-12-21(18)32-27(36)33-23-9-6-14(28)13-31-23)25(17)37-26(35)16-4-3-5-20-15(16)10-11-30-20/h3-11,13,18,21,30H,2,12H2,1H3,(H2,31,32,33,36)