N-[(1R)-1-[5-[3,5-bis(chloranyl)-2-ethoxy-phenyl]-3-fluoranyl-pyridin-2-yl]ethyl]-1-(2-cyanoethanoylamino)cyclopropane-1-carboxamide

Systemtic Name: N-[(1R)-1-[5-[3,5-bis(chloranyl)-2-ethoxy-phenyl]-3-fluoranyl-pyridin-2-yl]ethyl]-1-(2-cyanoethanoylamino)cyclopropane-1-carboxamide Openeye Name: 1-[(2-cyanoacetyl)amino]-N-[(1R)-1-[5-(3,5-dichloro-2-ethoxy-phenyl)-3-fluoro-2-pyridyl]ethyl]cyclopropanecarboxamide CAS Name: 1-[(2-cyano-1-oxoethyl)amino]-N-[(1R)-1-[5-(3,5-dichloro-2-ethoxyphenyl)-3-fluoro-2-pyridinyl]ethyl]-1-cyclopropanecarboxamide IUPAC Name: 1-[(2-cyanoacetyl)amino]-N-[(1R)-1-[5-(3,5-dichloro-2-ethoxyphenyl)-3-fluoropyridin-2-yl]ethyl]cyclopropane-1-carboxamide Traditional Name: 1-[(2-cyanoacetyl)amino]-N-[(1R)-1-[5-(3,5-dichloro-2-ethoxy-phenyl)-3-fluoro-2-pyridyl]ethyl]cyclopropanecarboxamide Formula: C22H21Cl2FN4O3 MolecularWeight: 479.331543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C2=CC(=C(N=C2)C(C)NC(=O)C3(CC3)NC(=O)CC#N)F)Cl)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1C2=CC(=C(N=C2)[C@@H](C)NC(=O)C3(CC3)NC(=O)CC#N)F)Cl)Cl

InChI

InChI=1S/C22H21Cl2FN4O3/c1-3-32-20-15(9-14(23)10-16(20)24)13-8-17(25)19(27-11-13)12(2)28-21(31)22(5-6-22)29-18(30)4-7-26/h8-12H,3-6H2,1-2H3,(H,28,31)(H,29,30)/t12-/m1/s1