ethyl 1-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazol-3-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[4-(3,4-dimethoxyphenyl)-1-phenyl-3-pyrazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dimethoxyphenyl)-1-phenylpyrazole-3-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[4-(3,4-dimethoxyphenyl)-1-phenyl-pyrazole-3-carbonyl]nipecotic acid ethyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=NN(C=C2C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C26H29N3O5/c1-4-34-26(31)19-9-8-14-28(16-19)25(30)24-21(17-29(27-24)20-10-6-5-7-11-20)18-12-13-22(32-2)23(15-18)33-3/h5-7,10-13,15,17,19H,4,8-9,14,16H2,1-3H3