(E)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enamide CAS Name: (E)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[6-(3-ketopiperazino)-3-pyridyl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylamide Formula: C25H22N6O2S MolecularWeight: 470.54618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O2S/c32-23(28-19-9-10-22(27-15-19)30-13-12-26-24(33)17-30)11-8-18-16-31(20-5-2-1-3-6-20)29-25(18)21-7-4-14-34-21/h1-11,14-16H,12-13,17H2,(H,26,33)(H,28,32)/b11-8+