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

Systemtic Name: (3-bromophenyl)-[4-[6-[(4-methylphenyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone Openeye Name: (3-bromophenyl)-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone CAS Name: (3-bromophenyl)-[4-[6-(4-methylanilino)-3-pyridazinyl]-1-piperazinyl]methanone IUPAC Name: (3-bromophenyl)-[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]methanone Traditional Name: (3-bromophenyl)-[4-[6-(p-toluidino)pyridazin-3-yl]piperazino]methanone Formula: C22H22BrN5O MolecularWeight: 452.34698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C22H22BrN5O/c1-16-5-7-19(8-6-16)24-20-9-10-21(26-25-20)27-11-13-28(14-12-27)22(29)17-3-2-4-18(23)15-17/h2-10,15H,11-14H2,1H3,(H,24,25)