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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-heptanoic acid Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-heptanoic acid CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-2-(2-imidazo[1,2-b]pyridazinyl)-2-methylheptanoic acid IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-2-imidazo[1,2-b]pyridazin-2-yl-2-methylheptanoic acid Traditional Name: 3-(4-benzhydrylpiperazino)-2-imidazo[1,2-b]pyridazin-2-yl-2-methyl-enanthic acid Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCC(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/C31H37N5O2/c1-3-4-16-27(31(2,30(37)38)26-23-36-28(33-26)17-11-18-32-36)34-19-21-35(22-20-34)29(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h5-15,17-18,23,27,29H,3-4,16,19-22H2,1-2H3,(H,37,38)