[4-[6-[(4-methylphenyl)amino]pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[6-[(4-methylphenyl)amino]pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone CAS Name: [4-[6-(4-methylanilino)-3-pyridazinyl]-1-piperazinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-(4-nitrophenyl)methanone Traditional Name: (4-nitrophenyl)-[4-[6-(p-toluidino)pyridazin-3-yl]piperazino]methanone Formula: C22H22N6O3 MolecularWeight: 418.44848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N6O3/c1-16-2-6-18(7-3-16)23-20-10-11-21(25-24-20)26-12-14-27(15-13-26)22(29)17-4-8-19(9-5-17)28(30)31/h2-11H,12-15H2,1H3,(H,23,24)