4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-4-methyl-2-oxidanyl-6-oxidanylidene-piperidin-3-yl]diazenyl]-N-prop-2-enyl-benzamide

Systemtic Name: 4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-4-methyl-2-oxidanyl-6-oxidanylidene-piperidin-3-yl]diazenyl]-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxo-3-piperidyl]azo]benzamide CAS Name: 4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxo-3-piperidinyl]azo]-N-prop-2-enylbenzamide IUPAC Name: 4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]diazenyl]-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-2-hydroxy-6-keto-4-methyl-3-piperidyl]azo]benzamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(C(C(C(C1=O)C#N)C)N=NC2=CC=C(C=C2)C(=O)NCC=C)O

Isomeric SMILES

CCCCCCN1[C@H]([C@H]([C@@H]([C@@H](C1=O)C#N)C)N=NC2=CC=C(C=C2)C(=O)NCC=C)O

InChI

InChI=1S/C23H31N5O3/c1-4-6-7-8-14-28-22(30)19(15-24)16(3)20(23(28)31)27-26-18-11-9-17(10-12-18)21(29)25-13-5-2/h5,9-12,16,19-20,23,31H,2,4,6-8,13-14H2,1,3H3,(H,25,29)/t16-,19+,20+,23+/m1/s1