4-[2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-pentanoyl]-N-(4-chlorophenyl)-2-methyl-piperazine-1-carboxamide

Systemtic Name: 4-[2-(1,3-benzodioxol-5-ylcarbonylamino)-3-methyl-pentanoyl]-N-(4-chlorophenyl)-2-methyl-piperazine-1-carboxamide Openeye Name: 4-[2-(1,3-benzodioxole-5-carbonylamino)-3-methyl-pentanoyl]-N-(4-chlorophenyl)-2-methyl-piperazine-1-carboxamide CAS Name: 4-[2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-methyl-1-oxopentyl]-N-(4-chlorophenyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: 4-[2-(1,3-benzodioxole-5-carbonylamino)-3-methylpentanoyl]-N-(4-chlorophenyl)-2-methylpiperazine-1-carboxamide Traditional Name: N-(4-chlorophenyl)-2-methyl-4-[3-methyl-2-(piperonyloylamino)pentanoyl]piperazine-1-carboxamide Formula: C26H31ClN4O5 MolecularWeight: 515.00114

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCN(C(C1)C)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(C)C(C(=O)N1CCN(C(C1)C)C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H31ClN4O5/c1-4-16(2)23(29-24(32)18-5-10-21-22(13-18)36-15-35-21)25(33)30-11-12-31(17(3)14-30)26(34)28-20-8-6-19(27)7-9-20/h5-10,13,16-17,23H,4,11-12,14-15H2,1-3H3,(H,28,34)(H,29,32)