ethyl 1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)methyl]-4-(phenylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-benzyl-1-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyl]piperidine-4-carboxylate CAS Name: 1-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)methyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methyl]piperidine-4-carboxylate Traditional Name: 4-benzyl-1-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)methyl]isonipecotic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)CC4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-4-33-26(32)27(19-22-11-7-5-8-12-22)15-17-29(18-16-27)20-24-21(2)28(3)30(25(24)31)23-13-9-6-10-14-23/h5-14H,4,15-20H2,1-3H3