N3-(1,3-benzodioxol-5-ylmethyl)-4-[(4-oxidanylcyclohexyl)amino]benzene-1,3-dicarboxamide

Systemtic Name: N3-(1,3-benzodioxol-5-ylmethyl)-4-[(4-oxidanylcyclohexyl)amino]benzene-1,3-dicarboxamide Openeye Name: N3-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxycyclohexyl)amino]benzene-1,3-dicarboxamide CAS Name: N3-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxycyclohexyl)amino]benzene-1,3-dicarboxamide IUPAC Name: 3-N-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxycyclohexyl)amino]benzene-1,3-dicarboxamide Traditional Name: 4-[(4-hydroxycyclohexyl)amino]-N'-piperonyl-isophthalamide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O5/c23-21(27)14-2-7-18(25-15-3-5-16(26)6-4-15)17(10-14)22(28)24-11-13-1-8-19-20(9-13)30-12-29-19/h1-2,7-10,15-16,25-26H,3-6,11-12H2,(H2,23,27)(H,24,28)