5-pyrazin-2-yl-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-pyrazin-2-yl-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-pyrazin-2-yl-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-(2-pyrazinyl)-4-[(E)-2-pyrrolylidenemethyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-pyrazin-2-yl-4-[(E)-pyrrol-2-ylidenemethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-pyrazin-2-yl-4-[(E)-pyrrol-2-ylidenemethyl]-3-pyrazolin-3-one Formula: C12H9N5O MolecularWeight: 239.23276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(NNC2=O)C3=NC=CN=C3)N=C1

Isomeric SMILES

C1=C/C(=C\C2=C(NNC2=O)C3=NC=CN=C3)/N=C1

InChI

InChI=1S/C12H9N5O/c18-12-9(6-8-2-1-3-14-8)11(16-17-12)10-7-13-4-5-15-10/h1-7H,(H2,16,17,18)/b8-6+