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

Systemtic Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-phenyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-phenyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-phenyl-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-phenylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-diethylaminoethyl)-5-methyl-3-phenyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C25H28N6O MolecularWeight: 428.52942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=C(C(=CC2=C(NNC2=O)C3=NC=CN=C3)N=C1C)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)CCC1=C(/C(=C\C2=C(NNC2=O)C3=NC=CN=C3)/N=C1C)C4=CC=CC=C4

InChI

InChI=1S/C25H28N6O/c1-4-31(5-2)14-11-19-17(3)28-21(23(19)18-9-7-6-8-10-18)15-20-24(29-30-25(20)32)22-16-26-12-13-27-22/h6-10,12-13,15-16H,4-5,11,14H2,1-3H3,(H2,29,30,32)/b21-15+