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

Systemtic Name: imidazo[1,2-b]pyridazin-2-yl 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-2-methyl-hexanoate Openeye Name: imidazo[1,2-b]pyridazin-2-yl 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methyl-hexanoate CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-2-methylhexanoic acid 2-imidazo[1,2-b]pyridazinyl ester IUPAC Name: imidazo[1,2-b]pyridazin-2-yl 2-[(4-benzhydrylpiperazin-1-yl)methyl]-2-methylhexanoate Traditional Name: 2-[(4-benzhydrylpiperazino)methyl]-2-methyl-hexanoic acid imidazo[1,2-b]pyridazin-2-yl ester Formula: C31H37N5O2 MolecularWeight: 511.65778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CN5C(=N4)C=CC=N5

Isomeric SMILES

CCCCC(C)(CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC4=CN5C(=N4)C=CC=N5

InChI

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