ethyl 1-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]-6-oxidanylidene-1H-pyridin-2-yl]methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]piperidine-3-carboxylate CAS Name: 1-[[5-[[2-(3,5-dimethyl-1-pyrazolyl)ethylamino]-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]-6-oxo-1H-pyridin-2-yl]methyl]piperidine-3-carboxylate Traditional Name: 1-[[5-[2-(3,5-dimethylpyrazol-1-yl)ethylcarbamoyl]-6-keto-1H-pyridin-2-yl]methyl]nipecotic acid ethyl ester Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CC=C(C(=O)N2)C(=O)NCCN3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CC=C(C(=O)N2)C(=O)NCCN3C(=CC(=N3)C)C

InChI

InChI=1S/C22H31N5O4/c1-4-31-22(30)17-6-5-10-26(13-17)14-18-7-8-19(21(29)24-18)20(28)23-9-11-27-16(3)12-15(2)25-27/h7-8,12,17H,4-6,9-11,13-14H2,1-3H3,(H,23,28)(H,24,29)