3-[4-(diphenylmethyl)piperazin-1-yl]-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-2-(2-imidazo[1,2-b]pyridazinyl)-2-methylhexanoic acid IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-2-imidazo[1,2-b]pyridazin-2-yl-2-methylhexanoic acid Traditional Name: 3-(4-benzhydrylpiperazino)-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-hexanoic acid Formula: C30H35N5O2 MolecularWeight: 497.6312

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C1=CN2C(=N1)C=CC=N2)C(=O)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCCC(C(C)(C1=CN2C(=N1)C=CC=N2)C(=O)O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H35N5O2/c1-3-11-26(30(2,29(36)37)25-22-35-27(32-25)16-10-17-31-35)33-18-20-34(21-19-33)28(23-12-6-4-7-13-23)24-14-8-5-9-15-24/h4-10,12-17,22,26,28H,3,11,18-21H2,1-2H3,(H,36,37)