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

Systemtic Name: methyl 4-[[4-(4-cyanophenyl)piperazin-1-yl]carbonyl-(phenylmethyl)amino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[benzyl-[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[4-(4-cyanophenyl)-1-piperazinyl]-oxomethyl]-(phenylmethyl)amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[benzyl-[4-(4-cyanophenyl)piperazine-1-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

Isomeric SMILES

COC(=O)C1CCC(CC1)N(CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C27H32N4O3/c1-34-26(32)23-9-13-25(14-10-23)31(20-22-5-3-2-4-6-22)27(33)30-17-15-29(16-18-30)24-11-7-21(19-28)8-12-24/h2-8,11-12,23,25H,9-10,13-18,20H2,1H3