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

Systemtic Name: 4-[(E)-[4-(2-azanylethyl)-3-cyclopentyl-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Openeye Name: 4-[(E)-[4-(2-aminoethyl)-3-cyclopentyl-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one CAS Name: 4-[(E)-[4-(2-aminoethyl)-3-cyclopentyl-5-methyl-2-pyrrolylidene]methyl]-5-(2-pyrazinyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[(E)-[4-(2-aminoethyl)-3-cyclopentyl-5-methylpyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-1,2-dihydropyrazol-3-one Traditional Name: 4-[(E)-[4-(2-aminoethyl)-3-cyclopentyl-5-methyl-pyrrol-2-ylidene]methyl]-5-pyrazin-2-yl-3-pyrazolin-3-one Formula: C20H24N6O MolecularWeight: 364.44416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC2=C(NNC2=O)C3=NC=CN=C3)C(=C1CCN)C4CCCC4

Isomeric SMILES

CC1=N/C(=C/C2=C(NNC2=O)C3=NC=CN=C3)/C(=C1CCN)C4CCCC4

InChI

InChI=1S/C20H24N6O/c1-12-14(6-7-21)18(13-4-2-3-5-13)16(24-12)10-15-19(25-26-20(15)27)17-11-22-8-9-23-17/h8-11,13H,2-7,21H2,1H3,(H2,25,26,27)/b16-10+