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

Systemtic Name: 4-[(Z)-[3,5-dimethyl-4-(3-oxidanylpropyl)pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-(3-hydroxypropyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-(3-hydroxypropyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-(3-hydroxypropyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-(3-hydroxypropyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C17H19N5O2 MolecularWeight: 325.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O2/c1-10-12(4-3-7-23)11(2)20-14(10)8-13-16(21-22-17(13)24)15-9-18-5-6-19-15/h5-6,8-9,23H,3-4,7H2,1-2H3,(H2,21,22,24)/b14-8-