ethyl 1-[[6-oxidanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[6-oxidanylidene-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[6-oxo-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[6-oxo-5-[oxo-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]-1H-pyridin-2-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[6-oxo-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]-1H-pyridin-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[6-keto-5-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoyl]-1H-pyridin-2-yl]methyl]isonipecotic acid ethyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=C(N(N=C3C)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC=C(C(=O)N2)C(=O)NCC3=C(N(N=C3C)C)C

InChI

InChI=1S/C22H31N5O4/c1-5-31-22(30)16-8-10-27(11-9-16)13-17-6-7-18(21(29)24-17)20(28)23-12-19-14(2)25-26(4)15(19)3/h6-7,16H,5,8-13H2,1-4H3,(H,23,28)(H,24,29)