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

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-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-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3)C5=CC=CC=C5

InChI

InChI=1S/C25H23N5O3/c1-17-20(15-26)22(30(28-17)19-7-3-2-4-8-19)16-32-24(31)18-11-13-29(14-12-18)25-27-21-9-5-6-10-23(21)33-25/h2-10,18H,11-14,16H2,1H3