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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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