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

Systemtic Name: 4-[(Z)-[3,5-dimethyl-4-(4-oxidanylbutyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-(4-hydroxybutyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-(4-hydroxybutyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-(4-hydroxybutyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-(4-hydroxybutyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC1=CC2=C(NNC2=O)C3=NC=CN=C3)C)CCCCO

Isomeric SMILES

CC\1=C(C(=N/C1=C\C2=C(NNC2=O)C3=NC=CN=C3)C)CCCCO

InChI

InChI=1S/C18H21N5O2/c1-11-13(5-3-4-8-24)12(2)21-15(11)9-14-17(22-23-18(14)25)16-10-19-6-7-20-16/h6-7,9-10,24H,3-5,8H2,1-2H3,(H2,22,23,25)/b15-9-