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

Systemtic Name: 4-[(E)-[4-(2-azanylethyl)-5-methyl-3-pyridin-2-yl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-(2-pyridyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-(2-pyridinyl)-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-pyridin-2-ylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-(2-pyridyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C20H19N7O MolecularWeight: 373.41116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=CN=C3)C(=C1CCN)C4=CC=CC=N4

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CN=C3)/C(=C1CCN)C4=CC=CC=N4

InChI

InChI=1S/C20H19N7O/c1-12-13(5-6-21)18(15-4-2-3-7-23-15)16(25-12)10-14-19(26-27-20(14)28)17-11-22-8-9-24-17/h2-4,7-11H,5-6,21H2,1H3,(H2,26,27,28)/b16-10+