ethyl 4-(3-phenylpropyl)-1-(1H-pyrazol-4-ylcarbonyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(1H-pyrazol-4-ylcarbonyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(1H-pyrazole-4-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-(1H-pyrazole-4-carbonyl)isonipecotic acid ethyl ester Formula: C21H27N3O3 MolecularWeight: 369.45738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CNN=C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CNN=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O3/c1-2-27-20(26)21(10-6-9-17-7-4-3-5-8-17)11-13-24(14-12-21)19(25)18-15-22-23-16-18/h3-5,7-8,15-16H,2,6,9-14H2,1H3,(H,22,23)