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

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(3-phenyl-1H-pyrazol-5-yl)carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[oxo-(3-phenyl-1H-pyrazol-5-yl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)piperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-(3-phenyl-1H-pyrazole-5-carbonyl)isonipecotic acid ethyl ester Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=CC=C3)CC4CC4

InChI

InChI=1S/C22H27N3O3/c1-2-28-21(27)22(15-16-8-9-16)10-12-25(13-11-22)20(26)19-14-18(23-24-19)17-6-4-3-5-7-17/h3-7,14,16H,2,8-13,15H2,1H3,(H,23,24)