N-(2-azanyl-1-cyano-2-oxidanylidene-ethyl)-5-chloranyl-6-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide

Systemtic Name: N-(2-azanyl-1-cyano-2-oxidanylidene-ethyl)-5-chloranyl-6-[4-(2-oxidanylidene-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide Openeye Name: N-(2-amino-1-cyano-2-oxo-ethyl)-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidyl]pyridine-3-carboxamide CAS Name: N-(2-amino-1-cyano-2-oxoethyl)-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)-1-piperidinyl]-3-pyridinecarboxamide IUPAC Name: N-(2-amino-1-cyano-2-oxoethyl)-5-chloro-6-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]pyridine-3-carboxamide Traditional Name: N-(2-amino-1-cyano-2-keto-ethyl)-5-chloro-6-[4-(2-keto-4H-3,1-benzoxazin-1-yl)piperidino]nicotinamide Formula: C22H21ClN6O4 MolecularWeight: 468.89294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=N4)C(=O)NC(C#N)C(=O)N)Cl

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3COC2=O)C4=C(C=C(C=N4)C(=O)NC(C#N)C(=O)N)Cl

InChI

InChI=1S/C22H21ClN6O4/c23-16-9-14(21(31)27-17(10-24)19(25)30)11-26-20(16)28-7-5-15(6-8-28)29-18-4-2-1-3-13(18)12-33-22(29)32/h1-4,9,11,15,17H,5-8,12H2,(H2,25,30)(H,27,31)