ethyl 1-(1-ethylpyrazol-4-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-(1-ethylpyrazol-4-yl)carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(1-ethylpyrazole-4-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(1-ethyl-4-pyrazolyl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1-ethylpyrazole-4-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(1-ethylpyrazole-4-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C23H31N3O3 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C=N1)C(=O)N2CCC(CC2)(CCCC3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H31N3O3/c1-3-26-18-20(17-24-26)21(27)25-15-13-23(14-16-25,22(28)29-4-2)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,17-18H,3-4,8,11-16H2,1-2H3