methyl 4-[[4-(4-cyanophenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate

Systemtic Name: methyl 4-[[4-(4-cyanophenyl)piperazin-1-yl]carbonyl-methyl-amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(4-cyanophenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-cyanophenyl)-1-piperazinyl]-oxomethyl]-methylamino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(4-cyanophenyl)piperazine-1-carbonyl]-methylamino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-cyanophenyl)piperazine-1-carbonyl]-methyl-amino]cyclohexanecarboxylic acid methyl ester Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-23(18-9-5-17(6-10-18)20(26)28-2)21(27)25-13-11-24(12-14-25)19-7-3-16(15-22)4-8-19/h3-4,7-8,17-18H,5-6,9-14H2,1-2H3