4-bromanyl-5-[4-(diphenylmethyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one

Systemtic Name: 4-bromanyl-5-[4-(diphenylmethyl)piperazin-1-yl]-2-phenyl-pyridazin-3-one Openeye Name: 5-(4-benzhydrylpiperazin-1-yl)-4-bromo-2-phenyl-pyridazin-3-one CAS Name: 4-bromo-5-[4-(diphenylmethyl)-1-piperazinyl]-2-phenyl-3-pyridazinone IUPAC Name: 5-(4-benzhydrylpiperazin-1-yl)-4-bromo-2-phenylpyridazin-3-one Traditional Name: 5-(4-benzhydrylpiperazino)-4-bromo-2-phenyl-pyridazin-3-one Formula: C27H25BrN4O MolecularWeight: 501.4176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H25BrN4O/c28-25-24(20-29-32(27(25)33)23-14-8-3-9-15-23)30-16-18-31(19-17-30)26(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,20,26H,16-19H2