N3-(1,3-benzodioxol-5-ylmethyl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide

Systemtic Name: N3-(1,3-benzodioxol-5-ylmethyl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide Openeye Name: N3-(1,3-benzodioxol-5-ylmethyl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide CAS Name: N3-(1,3-benzodioxol-5-ylmethyl)-N1-(4-methoxyphenyl)piperazine-1,3-dicarboxamide IUPAC Name: 3-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methoxyphenyl)piperazine-1,3-dicarboxamide Traditional Name: N-(4-methoxyphenyl)-N'-piperonyl-piperazine-1,3-dicarboxamide Formula: C21H24N4O5 MolecularWeight: 412.43906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCNC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCNC(C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N4O5/c1-28-16-5-3-15(4-6-16)24-21(27)25-9-8-22-17(12-25)20(26)23-11-14-2-7-18-19(10-14)30-13-29-18/h2-7,10,17,22H,8-9,11-13H2,1H3,(H,23,26)(H,24,27)