1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone

Systemtic Name: 1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-propan-2-yl-phenoxy)ethanone Openeye Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazinyl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone Traditional Name: 2-(2-isopropyl-5-methyl-phenoxy)-1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazino]ethanone Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)CC3=NC4=C(N3C)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)N2CCN(CC2)CC3=NC4=C(N3C)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O4/c1-17(2)20-7-5-18(3)13-23(20)34-16-25(31)29-11-9-28(10-12-29)15-24-26-21-14-19(30(32)33)6-8-22(21)27(24)4/h5-8,13-14,17H,9-12,15-16H2,1-4H3