ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate CAS Name: 1-[2-(3,5-dimethyl-1-pyrazolyl)-4-pyrimidinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxylate Traditional Name: 1-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]isonipecotic acid ethyl ester Formula: C17H23N5O2 MolecularWeight: 329.39682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O2/c1-4-24-16(23)14-6-9-21(10-7-14)15-5-8-18-17(19-15)22-13(3)11-12(2)20-22/h5,8,11,14H,4,6-7,9-10H2,1-3H3