4-[(E)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[(E)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-(4-ethyl-3,5-dimethyl-2-pyrrolylidene)methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C16H17N5O MolecularWeight: 295.33908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC2=C(NNC2=O)C3=NC=CN=C3)N=C1C)C

Isomeric SMILES

CCC1=C(/C(=C\C2=C(NNC2=O)C3=NC=CN=C3)/N=C1C)C

InChI

InChI=1S/C16H17N5O/c1-4-11-9(2)13(19-10(11)3)7-12-15(20-21-16(12)22)14-8-17-5-6-18-14/h5-8H,4H2,1-3H3,(H2,20,21,22)/b13-7+