N-[2-[4-(2-cyclohexylethanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(2-cyclohexylethanoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(2-cyclohexylacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-(2-cyclohexyl-1-oxoethyl)-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(2-cyclohexylacetyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(2-cyclohexylacetyl)piperazino]ethyl]-piperonylamide Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)CC(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H31N3O4/c26-21(14-17-4-2-1-3-5-17)25-12-10-24(11-13-25)9-8-23-22(27)18-6-7-19-20(15-18)29-16-28-19/h6-7,15,17H,1-5,8-14,16H2,(H,23,27)