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

Systemtic Name: (E)-N-[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[6-(3-oxopiperazin-1-yl)-3-pyridyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[6-(3-oxo-1-piperazinyl)-3-pyridinyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[6-(3-oxopiperazin-1-yl)pyridin-3-yl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[6-(3-ketopiperazino)-3-pyridyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C21H20N6O2 MolecularWeight: 388.4225

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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=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=NC=C(C=C2)NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N6O2/c28-20(9-6-16-12-24-27(14-16)18-4-2-1-3-5-18)25-17-7-8-19(23-13-17)26-11-10-22-21(29)15-26/h1-9,12-14H,10-11,15H2,(H,22,29)(H,25,28)/b9-6+