methyl 1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]isonipecotic acid methyl ester Formula: C19H21N3O3 MolecularWeight: 339.38834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21N3O3/c1-25-19(24)16-9-11-21(12-10-16)18(23)8-7-15-13-20-22(14-15)17-5-3-2-4-6-17/h2-8,13-14,16H,9-12H2,1H3/b8-7+