ethyl 1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-(5-acetamido-3-methyl-1-pyrazolyl)phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(5-acetamido-3-methylpyrazol-1-yl)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(5-acetamido-3-methyl-pyrazol-1-yl)benzoyl]isonipecotic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)NC(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C(=CC(=N3)C)NC(=O)C

InChI

InChI=1S/C21H26N4O4/c1-4-29-21(28)17-9-11-24(12-10-17)20(27)16-5-7-18(8-6-16)25-19(22-15(3)26)13-14(2)23-25/h5-8,13,17H,4,9-12H2,1-3H3,(H,22,26)