methyl 4-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-(5-cyanopyridin-2-yl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(5-cyano-2-pyridinyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(5-cyanopyridin-2-yl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(5-cyano-2-pyridyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CN(C1CCC(CC1)C(=O)OC)C(=O)N2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H27N5O3/c1-23(17-6-4-16(5-7-17)19(26)28-2)20(27)25-11-9-24(10-12-25)18-8-3-15(13-21)14-22-18/h3,8,14,16-17H,4-7,9-12H2,1-2H3