N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[5-[(4-azanylcyclohexyl)carbamoyl]-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methoxy-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[5-[(4-aminocyclohexyl)carbamoyl]-2-methoxy-phenyl]-piperonylamide Formula: C22H25N3O5 MolecularWeight: 411.451

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5/c1-28-18-8-2-13(21(26)24-16-6-4-15(23)5-7-16)10-17(18)25-22(27)14-3-9-19-20(11-14)30-12-29-19/h2-3,8-11,15-16H,4-7,12,23H2,1H3,(H,24,26)(H,25,27)