5-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one

Systemtic Name: 5-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-4-chloranyl-2-phenyl-pyridazin-3-one Openeye Name: 5-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-4-chloro-2-phenyl-pyridazin-3-one CAS Name: 5-[4-[(2-bromophenyl)methyl]-1-piperazinyl]-4-chloro-2-phenyl-3-pyridazinone IUPAC Name: 5-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one Traditional Name: 5-[4-(2-bromobenzyl)piperazino]-4-chloro-2-phenyl-pyridazin-3-one Formula: C21H20BrClN4O MolecularWeight: 459.7667

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C21H20BrClN4O/c22-18-9-5-4-6-16(18)15-25-10-12-26(13-11-25)19-14-24-27(21(28)20(19)23)17-7-2-1-3-8-17/h1-9,14H,10-13,15H2