ethyl 4-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-oxo-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]prop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H26N4O3S MolecularWeight: 450.55324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C=CC2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C=C/C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3S/c1-2-31-24(30)27-14-12-26(13-15-27)22(29)11-10-20-18-28(17-19-7-4-3-5-8-19)25-23(20)21-9-6-16-32-21/h3-11,16,18H,2,12-15,17H2,1H3/b11-10+