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

Systemtic Name: methyl 4-[[4-(4-cyanophenyl)piperazin-1-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-cyanophenyl)-1-piperazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)NC(=O)N2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H26N4O3/c1-27-19(25)16-4-6-17(7-5-16)22-20(26)24-12-10-23(11-13-24)18-8-2-15(14-21)3-9-18/h2-3,8-9,16-17H,4-7,10-13H2,1H3,(H,22,26)