1-[4-[6-[(4-methylphenyl)amino]pyridazin-3-yl]piperazin-1-yl]pentan-1-one

Systemtic Name: 1-[4-[6-[(4-methylphenyl)amino]pyridazin-3-yl]piperazin-1-yl]pentan-1-one Openeye Name: 1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]pentan-1-one CAS Name: 1-[4-[6-(4-methylanilino)-3-pyridazinyl]-1-piperazinyl]-1-pentanone IUPAC Name: 1-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]pentan-1-one Traditional Name: 1-[4-[6-(p-toluidino)pyridazin-3-yl]piperazino]pentan-1-one Formula: C20H27N5O MolecularWeight: 353.46128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1)C2=NN=C(C=C2)NC3=CC=C(C=C3)C

Isomeric SMILES

CCCCC(=O)N1CCN(CC1)C2=NN=C(C=C2)NC3=CC=C(C=C3)C

InChI

InChI=1S/C20H27N5O/c1-3-4-5-20(26)25-14-12-24(13-15-25)19-11-10-18(22-23-19)21-17-8-6-16(2)7-9-17/h6-11H,3-5,12-15H2,1-2H3,(H,21,22)