3,3-dimethyl-1-[4-[6-[(4-methylphenyl)amino]pyridazin-3-yl]piperazin-1-yl]butan-1-one

Systemtic Name: 3,3-dimethyl-1-[4-[6-[(4-methylphenyl)amino]pyridazin-3-yl]piperazin-1-yl]butan-1-one Openeye Name: 3,3-dimethyl-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]butan-1-one CAS Name: 3,3-dimethyl-1-[4-[6-(4-methylanilino)-3-pyridazinyl]-1-piperazinyl]-1-butanone IUPAC Name: 3,3-dimethyl-1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]butan-1-one Traditional Name: 3,3-dimethyl-1-[4-[6-(p-toluidino)pyridazin-3-yl]piperazino]butan-1-one Formula: C21H29N5O MolecularWeight: 367.48786

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)CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)CC(C)(C)C

InChI

InChI=1S/C21H29N5O/c1-16-5-7-17(8-6-16)22-18-9-10-19(24-23-18)25-11-13-26(14-12-25)20(27)15-21(2,3)4/h5-10H,11-15H2,1-4H3,(H,22,23)