ethyl 3-[[4-(5-oxidanylidene-1,2-dihydropyrazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: ethyl 3-[[4-(5-oxidanylidene-1,2-dihydropyrazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate Openeye Name: ethyl 3-[[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate CAS Name: 3-[oxo-[4-(5-oxo-1,2-dihydropyrazol-3-yl)anilino]methyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[4-(5-oxo-1,2-dihydropyrazol-3-yl)phenyl]carbamoyl]piperidine-1-carboxylate Traditional Name: 3-[[4-(5-keto-3-pyrazolin-3-yl)phenyl]carbamoyl]piperidine-1-carboxylic acid ethyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=CC(=O)NN3

Isomeric SMILES

CCOC(=O)N1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=CC(=O)NN3

InChI

InChI=1S/C18H22N4O4/c1-2-26-18(25)22-9-3-4-13(11-22)17(24)19-14-7-5-12(6-8-14)15-10-16(23)21-20-15/h5-8,10,13H,2-4,9,11H2,1H3,(H,19,24)(H2,20,21,23)