[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 1,3-diphenylpyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 1,3-diphenylpyrazole-4-carboxylate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 1,3-diphenylpyrazole-4-carboxylate CAS Name: 1,3-diphenyl-4-pyrazolecarboxylic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 1,3-diphenylpyrazole-4-carboxylate Traditional Name: 1,3-diphenylpyrazole-4-carboxylic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C30H29N3O3 MolecularWeight: 479.56956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H29N3O3/c34-28(32-18-16-24(17-19-32)20-23-10-4-1-5-11-23)22-36-30(35)27-21-33(26-14-8-3-9-15-26)31-29(27)25-12-6-2-7-13-25/h1-15,21,24H,16-20,22H2