ethyl 4-(3-phenylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate

Systemtic Name: ethyl 4-(3-phenylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 4-(3-phenylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate CAS Name: 4-(3-phenylpropyl)-1-(1H-pyrazol-5-ylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxylate Traditional Name: 4-(3-phenylpropyl)-1-(1H-pyrazol-5-ylmethyl)isonipecotic acid ethyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)CC2=CC=NN2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)CC2=CC=NN2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-2-26-20(25)21(11-6-9-18-7-4-3-5-8-18)12-15-24(16-13-21)17-19-10-14-22-23-19/h3-5,7-8,10,14H,2,6,9,11-13,15-17H2,1H3,(H,22,23)