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

Systemtic Name: 4-[(Z)-[4-(2-dimethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(Z)-[4-(2-dimethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(Z)-[4-(2-dimethylaminoethyl)-3,5-dimethyl-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(Z)-[4-(2-dimethylaminoethyl)-3,5-dimethylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(Z)-[4-(2-dimethylaminoethyl)-3,5-dimethyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C18H22N6O MolecularWeight: 338.40688

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)CCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6O/c1-11-13(5-8-24(3)4)12(2)21-15(11)9-14-17(22-23-18(14)25)16-10-19-6-7-20-16/h6-7,9-10H,5,8H2,1-4H3,(H2,22,23,25)/b15-9-