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

Systemtic Name: 4-[(E)-[4-(2-azanylethyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-(trifluoromethyl)-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-(trifluoromethyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C16H15F3N6O MolecularWeight: 364.32511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=CN=C3)C(=C1CCN)C(F)(F)F

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CN=C3)/C(=C1CCN)C(F)(F)F

InChI

InChI=1S/C16H15F3N6O/c1-8-9(2-3-20)13(16(17,18)19)11(23-8)6-10-14(24-25-15(10)26)12-7-21-4-5-22-12/h4-7H,2-3,20H2,1H3,(H2,24,25,26)/b11-6+