[1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [1-(2-ethylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-(2-ethyl-1-piperidyl)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [1-(2-ethyl-1-piperidinyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-(2-ethylpiperidino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H25N3O3/c1-3-17-7-4-5-13-22(17)19(24)15(2)26-20(25)16-8-10-18(11-9-16)23-14-6-12-21-23/h6,8-12,14-15,17H,3-5,7,13H2,1-2H3