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

Systemtic Name: 4-[(E)-[4-(2-azanylethyl)-5-methyl-3-phenyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-phenyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-phenyl-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-phenylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-aminoethyl)-5-methyl-3-phenyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C21H20N6O MolecularWeight: 372.4231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N6O/c1-13-15(7-8-22)19(14-5-3-2-4-6-14)17(25-13)11-16-20(26-27-21(16)28)18-12-23-9-10-24-18/h2-6,9-12H,7-8,22H2,1H3,(H2,26,27,28)/b17-11+