4-azanyl-6-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-5-(1H-pyrazol-5-yl)pyridazin-3-one

Systemtic Name: 4-azanyl-6-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-5-(1H-pyrazol-5-yl)pyridazin-3-one Openeye Name: 4-amino-6-methyl-2-[2-[4-(p-tolyl)piperazin-1-yl]ethyl]-5-(1H-pyrazol-5-yl)pyridazin-3-one CAS Name: 4-amino-6-methyl-2-[2-[4-(4-methylphenyl)-1-piperazinyl]ethyl]-5-(1H-pyrazol-5-yl)-3-pyridazinone IUPAC Name: 4-amino-6-methyl-2-[2-[4-(4-methylphenyl)piperazin-1-yl]ethyl]-5-(1H-pyrazol-5-yl)pyridazin-3-one Traditional Name: 4-amino-6-methyl-2-[2-[4-(p-tolyl)piperazino]ethyl]-5-(1H-pyrazol-5-yl)pyridazin-3-one Formula: C21H27N7O MolecularWeight: 393.48538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C(=C(C(=N3)C)C4=CC=NN4)N

Isomeric SMILES

CC1=CC=C(C=C1)N2CCN(CC2)CCN3C(=O)C(=C(C(=N3)C)C4=CC=NN4)N

InChI

InChI=1S/C21H27N7O/c1-15-3-5-17(6-4-15)27-12-9-26(10-13-27)11-14-28-21(29)20(22)19(16(2)25-28)18-7-8-23-24-18/h3-8H,9-14,22H2,1-2H3,(H,23,24)