methyl 1-[4-[3-(4-piperidin-1-ylphenyl)-1H-pyrazol-5-yl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[3-(4-piperidin-1-ylphenyl)-1H-pyrazol-5-yl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[3-[4-(1-piperidyl)phenyl]-1H-pyrazol-5-yl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[3-[4-(1-piperidinyl)phenyl]-1H-pyrazol-5-yl]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[3-(4-piperidin-1-ylphenyl)-1H-pyrazol-5-yl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[3-(4-piperidinophenyl)-1H-pyrazol-5-yl]benzoyl]isonipecotic acid methyl ester Formula: C28H32N4O3 MolecularWeight: 472.57868

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC(=NN3)C4=CC=C(C=C4)N5CCCCC5

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)C3=CC(=NN3)C4=CC=C(C=C4)N5CCCCC5

InChI

InChI=1S/C28H32N4O3/c1-35-28(34)23-13-17-32(18-14-23)27(33)22-7-5-20(6-8-22)25-19-26(30-29-25)21-9-11-24(12-10-21)31-15-3-2-4-16-31/h5-12,19,23H,2-4,13-18H2,1H3,(H,29,30)