tert-butyl 4-[4-[(1-methylpiperidin-4-yl)carbonylamino]phenyl]piperazine-1-carboxylate ethanoate

Systemtic Name: tert-butyl 4-[4-[(1-methylpiperidin-4-yl)carbonylamino]phenyl]piperazine-1-carboxylate ethanoate Openeye Name: tert-butyl 4-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]piperazine-1-carboxylate acetate CAS Name: 4-[4-[[(1-methyl-4-piperidinyl)-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester acetate IUPAC Name: tert-butyl 4-[4-[(1-methylpiperidine-4-carbonyl)amino]phenyl]piperazine-1-carboxylate acetate Traditional Name: 4-[4-[(1-methylisonipecotoyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester acetate Formula: C24H37N4O5- MolecularWeight: 461.57438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C

Isomeric SMILES

CC(=O)[O-].CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3CCN(CC3)C

InChI

InChI=1S/C22H34N4O3.C2H4O2/c1-22(2,3)29-21(28)26-15-13-25(14-16-26)19-7-5-18(6-8-19)23-20(27)17-9-11-24(4)12-10-17;1-2(3)4/h5-8,17H,9-16H2,1-4H3,(H,23,27);1H3,(H,3,4)/p-1