ethyl 1-[2-oxidanylidene-2-(3-phenyl-1,3-dihydropyrazol-2-yl)ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-oxidanylidene-2-(3-phenyl-1,3-dihydropyrazol-2-yl)ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-oxo-2-(3-phenyl-1,3-dihydropyrazol-2-yl)ethyl]piperidine-3-carboxylate CAS Name: 1-[2-oxo-2-(3-phenyl-1,3-dihydropyrazol-2-yl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-oxo-2-(3-phenyl-1,3-dihydropyrazol-2-yl)ethyl]piperidine-3-carboxylate Traditional Name: 1-[2-keto-2-(5-phenyl-3-pyrazolin-1-yl)ethyl]nipecotic acid ethyl ester Formula: C19H25N3O3 MolecularWeight: 343.4201

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)N2C(C=CN2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(=O)N2C(C=CN2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3/c1-2-25-19(24)16-9-6-12-21(13-16)14-18(23)22-17(10-11-20-22)15-7-4-3-5-8-15/h3-5,7-8,10-11,16-17,20H,2,6,9,12-14H2,1H3