ethyl 4-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]phenyl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[4-[4-(3-pyrazol-1-ylpropylamino)-1-piperidyl]benzoyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[4-[4-[3-(1-pyrazolyl)propylamino]-1-piperidinyl]phenyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-[4-(3-pyrazol-1-ylpropylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-[4-(3-pyrazol-1-ylpropylamino)piperidino]benzoyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H36N6O3 MolecularWeight: 468.59174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCCN4C=CC=N4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)N3CCC(CC3)NCCCN4C=CC=N4

InChI

InChI=1S/C25H36N6O3/c1-2-34-25(33)30-19-17-29(18-20-30)24(32)21-5-7-23(8-6-21)28-15-9-22(10-16-28)26-11-3-13-31-14-4-12-27-31/h4-8,12,14,22,26H,2-3,9-11,13,15-20H2,1H3