N-[[2-(4-tert-butylphenyl)-6-chloranyl-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide

Systemtic Name: N-[[2-(4-tert-butylphenyl)-6-chloranyl-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide Openeye Name: N-[[2-(4-tert-butylphenyl)-6-chloro-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide CAS Name: N-[[2-(4-tert-butylphenyl)-6-chloro-3-imidazo[1,2-b]pyridazinyl]methyl]-4-nitrobenzamide IUPAC Name: N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitrobenzamide Traditional Name: N-[[2-(4-tert-butylphenyl)-6-chloro-imidazo[1,2-b]pyridazin-3-yl]methyl]-4-nitro-benzamide Formula: C24H22ClN5O3 MolecularWeight: 463.91618

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N3C(=N2)C=CC(=N3)Cl)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N3C(=N2)C=CC(=N3)Cl)CNC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22ClN5O3/c1-24(2,3)17-8-4-15(5-9-17)22-19(29-21(27-22)13-12-20(25)28-29)14-26-23(31)16-6-10-18(11-7-16)30(32)33/h4-13H,14H2,1-3H3,(H,26,31)