ethyl 4-(cyclopropylmethyl)-1-(3-pyrazol-1-ylphenyl)carbonyl-piperidine-4-carboxylate

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-(3-pyrazol-1-ylphenyl)carbonyl-piperidine-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-(3-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[oxo-[3-(1-pyrazolyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-(3-pyrazol-1-ylbenzoyl)piperidine-4-carboxylate Traditional Name: 4-(cyclopropylmethyl)-1-(3-pyrazol-1-ylbenzoyl)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(=CC=C2)N3C=CC=N3)CC4CC4

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)C2=CC(=CC=C2)N3C=CC=N3)CC4CC4

InChI

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