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

Systemtic Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoranyl-6-propanoyl-phenyl] iodanylmethyl carbonate Openeye Name: [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoyl-phenyl] iodomethyl carbonate CAS Name: carbonic acid [2-[2-[[[(5-cyano-2-pyridinyl)amino]-oxomethyl]amino]cyclopropyl]-3-fluoro-6-(1-oxopropyl)phenyl] iodomethyl ester IUPAC Name: [2-[2-[(5-cyanopyridin-2-yl)carbamoylamino]cyclopropyl]-3-fluoro-6-propanoylphenyl] iodomethyl carbonate Traditional Name: carbonic acid [2-[2-[(5-cyano-2-pyridyl)carbamoylamino]cyclopropyl]-3-fluoro-6-propionyl-phenyl] iodomethyl ester Formula: C21H18FIN4O5 MolecularWeight: 552.294293

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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)OCI

Isomeric SMILES

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)OC(=O)OCI

InChI

InChI=1S/C21H18FIN4O5/c1-2-16(28)12-4-5-14(22)18(19(12)32-21(30)31-10-23)13-7-15(13)26-20(29)27-17-6-3-11(8-24)9-25-17/h3-6,9,13,15H,2,7,10H2,1H3,(H2,25,26,27,29)