N-[1,2-bis(oxidanyl)-2-phenyl-ethyl]-4-(2-chloranyl-5-cyano-pyridin-4-yl)-3-methyl-1H-pyrrole-2-carboxamide

Systemtic Name: N-[1,2-bis(oxidanyl)-2-phenyl-ethyl]-4-(2-chloranyl-5-cyano-pyridin-4-yl)-3-methyl-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-chloro-5-cyano-4-pyridyl)-N-(1,2-dihydroxy-2-phenyl-ethyl)-3-methyl-1H-pyrrole-2-carboxamide CAS Name: 4-(2-chloro-5-cyano-4-pyridinyl)-N-(1,2-dihydroxy-2-phenylethyl)-3-methyl-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-chloro-5-cyanopyridin-4-yl)-N-(1,2-dihydroxy-2-phenylethyl)-3-methyl-1H-pyrrole-2-carboxamide Traditional Name: 4-(2-chloro-5-cyano-4-pyridyl)-N-(1,2-dihydroxy-2-phenyl-ethyl)-3-methyl-1H-pyrrole-2-carboxamide Formula: C20H17ClN4O3 MolecularWeight: 396.82698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC=C1C2=CC(=NC=C2C#N)Cl)C(=O)NC(C(C3=CC=CC=C3)O)O

Isomeric SMILES

CC1=C(NC=C1C2=CC(=NC=C2C#N)Cl)C(=O)NC(C(C3=CC=CC=C3)O)O

InChI

InChI=1S/C20H17ClN4O3/c1-11-15(14-7-16(21)23-9-13(14)8-22)10-24-17(11)19(27)25-20(28)18(26)12-5-3-2-4-6-12/h2-7,9-10,18,20,24,26,28H,1H3,(H,25,27)