ethyl 4-[4-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]-1-piperidyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-[4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylamino]-1-piperidinyl]phenyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylamino]piperidin-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methylamino]piperidino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C27H40N6O3 MolecularWeight: 496.6449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CNC2CCN(CC2)C3=CC=C(C=C3)C(=O)N4CCN(CC4)C(=O)OCC)C

InChI

InChI=1S/C27H40N6O3/c1-5-33-21(4)25(20(3)29-33)19-28-23-11-13-30(14-12-23)24-9-7-22(8-10-24)26(34)31-15-17-32(18-16-31)27(35)36-6-2/h7-10,23,28H,5-6,11-19H2,1-4H3