(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C26H26N4O3 MolecularWeight: 442.50964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2(CCN(CC2)C(=O)C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3/c1-19-23(17-27)24(30(28-19)22-11-7-4-8-12-22)18-33-25(32)26(21-9-5-3-6-10-21)13-15-29(16-14-26)20(2)31/h3-12H,13-16,18H2,1-2H3