ethyl 1-[(3-ethanoyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-ethanoyl-1H-pyrazol-5-yl)carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(3-acetyl-1H-pyrazole-5-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(3-acetyl-1H-pyrazol-5-yl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-acetyl-1H-pyrazole-5-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(3-acetyl-1H-pyrazole-5-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C23H29N3O4 MolecularWeight: 411.49406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NN2)C(=O)C)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NN2)C(=O)C)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O4/c1-3-30-22(29)23(11-7-10-18-8-5-4-6-9-18)12-14-26(15-13-23)21(28)20-16-19(17(2)27)24-25-20/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,24,25)