3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-cyclohexyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 3-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: N-cyclohexyl-3-[2-keto-2-(piperonylamino)ethyl]piperazine-1-carboxamide Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCNC(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCNC(C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H30N4O4/c26-20(23-12-15-6-7-18-19(10-15)29-14-28-18)11-17-13-25(9-8-22-17)21(27)24-16-4-2-1-3-5-16/h6-7,10,16-17,22H,1-5,8-9,11-14H2,(H,23,26)(H,24,27)