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

Systemtic Name: ethyl 1-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-(5-methyl-1H-pyrazole-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[(5-methyl-1H-pyrazol-3-yl)-oxomethyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-methyl-1H-pyrazole-3-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-(5-methyl-1H-pyrazole-3-carbonyl)-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-3-28-21(27)22(11-7-10-18-8-5-4-6-9-18)12-14-25(15-13-22)20(26)19-16-17(2)23-24-19/h4-6,8-9,16H,3,7,10-15H2,1-2H3,(H,23,24)