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

Systemtic Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(5-cyano-3-ethoxycarbonyl-6-methyl-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: 2-[4-(benzofuran-2-ylmethyl)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-(2-benzofuranylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1-benzofuran-2-ylmethyl)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-(benzofuran-2-ylmethyl)piperazino]ethyl ester Formula: C30H36N6O5 MolecularWeight: 560.64404

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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=CC=CC=C5O4

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)C)N2CCN(CC2)C(=O)OCCN3CCN(CC3)CC4=CC5=CC=CC=C5O4

InChI

InChI=1S/C30H36N6O5/c1-3-39-29(37)26-19-24(20-31)22(2)32-28(26)35-12-14-36(15-13-35)30(38)40-17-16-33-8-10-34(11-9-33)21-25-18-23-6-4-5-7-27(23)41-25/h4-7,18-19H,3,8-17,21H2,1-2H3