N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-2-[(4-hydroxycyclohexyl)amino]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-2-[(4-hydroxycyclohexyl)amino]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-5-cyano-2-[(4-hydroxycyclohexyl)amino]benzamide Traditional Name: 5-cyano-2-[(4-hydroxycyclohexyl)amino]-N-piperonyl-benzamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C(C=C(C=C2)C#N)C(=O)NCC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

C1CC(CCC1NC2=C(C=C(C=C2)C#N)C(=O)NCC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C22H23N3O4/c23-11-14-1-7-19(25-16-3-5-17(26)6-4-16)18(9-14)22(27)24-12-15-2-8-20-21(10-15)29-13-28-20/h1-2,7-10,16-17,25-26H,3-6,12-13H2,(H,24,27)