ethyl 1-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperidine-4-carboxylate Traditional Name: 1-[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]isonipecotic acid ethyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c1-2-30-24(29)18-12-14-26(15-13-18)22(28)11-10-19-17-27(20-7-4-3-5-8-20)25-23(19)21-9-6-16-31-21/h3-11,16-18H,2,12-15H2,1H3