2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-(5-cyano-3-ethoxycarbonyl-6-methyl-2-pyridinyl)-1-piperazinecarboxylic acid 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methylpyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-(3-carbethoxy-5-cyano-6-methyl-2-pyridyl)piperazine-1-carboxylic acid 2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperazino]ethyl ester Formula: C29H35ClN6O6 MolecularWeight: 599.0778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC5=C(C=C4Cl)OCO5

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC5=C(C=C4Cl)OCO5

InChI

InChI=1S/C29H35ClN6O6/c1-3-39-28(37)23-14-21(17-31)20(2)32-27(23)35-8-10-36(11-9-35)29(38)40-13-12-33-4-6-34(7-5-33)18-22-15-25-26(16-24(22)30)42-19-41-25/h14-16H,3-13,18-19H2,1-2H3