(E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-1-[2-(2-thienyl)pyrrolidin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-1-(2-thiophen-2-yl-1-pyrrolidinyl)-2-propen-1-one IUPAC Name: (E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-1-[2-(2-thienyl)pyrrolidino]prop-2-en-1-one Formula: C25H22N4OS MolecularWeight: 426.53338

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C=CC2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1CC(N(C1)C(=O)/C=C/C2=CN(N=C2C3=CN=CC=C3)C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C25H22N4OS/c30-24(28-15-5-10-22(28)23-11-6-16-31-23)13-12-20-18-29(21-8-2-1-3-9-21)27-25(20)19-7-4-14-26-17-19/h1-4,6-9,11-14,16-18,22H,5,10,15H2/b13-12+