6-(4-bromophenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]pyridazin-3-one

Systemtic Name: 6-(4-bromophenyl)-2-[4-oxidanylidene-4-[4-(phenylmethyl)piperidin-1-yl]butyl]pyridazin-3-one Openeye Name: 2-[4-(4-benzyl-1-piperidyl)-4-oxo-butyl]-6-(4-bromophenyl)pyridazin-3-one CAS Name: 6-(4-bromophenyl)-2-[4-oxo-4-[4-(phenylmethyl)-1-piperidinyl]butyl]-3-pyridazinone IUPAC Name: 2-[4-(4-benzylpiperidin-1-yl)-4-oxobutyl]-6-(4-bromophenyl)pyridazin-3-one Traditional Name: 2-[4-(4-benzylpiperidino)-4-keto-butyl]-6-(4-bromophenyl)pyridazin-3-one Formula: C26H28BrN3O2 MolecularWeight: 494.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CCCN3C(=O)C=CC(=N3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H28BrN3O2/c27-23-10-8-22(9-11-23)24-12-13-26(32)30(28-24)16-4-7-25(31)29-17-14-21(15-18-29)19-20-5-2-1-3-6-20/h1-3,5-6,8-13,21H,4,7,14-19H2