methyl 4-(3-methylphenyl)-6-piperazin-1-yl-pyridazine-3-carboxylate

Systemtic Name: methyl 4-(3-methylphenyl)-6-piperazin-1-yl-pyridazine-3-carboxylate Openeye Name: methyl 4-(m-tolyl)-6-piperazin-1-yl-pyridazine-3-carboxylate CAS Name: 4-(3-methylphenyl)-6-(1-piperazinyl)-3-pyridazinecarboxylic acid methyl ester IUPAC Name: methyl 4-(3-methylphenyl)-6-piperazin-1-ylpyridazine-3-carboxylate Traditional Name: 4-(m-tolyl)-6-piperazino-pyridazine-3-carboxylic acid methyl ester Formula: C17H20N4O2 MolecularWeight: 312.3663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC(=NN=C2C(=O)OC)N3CCNCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC(=NN=C2C(=O)OC)N3CCNCC3

InChI

InChI=1S/C17H20N4O2/c1-12-4-3-5-13(10-12)14-11-15(21-8-6-18-7-9-21)19-20-16(14)17(22)23-2/h3-5,10-11,18H,6-9H2,1-2H3