1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one CAS Name: 1-[4-[(1-methyl-5-nitro-2-benzimidazolyl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 1-[4-[(1-methyl-5-nitrobenzimidazol-2-yl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 1-[4-[(1-methyl-5-nitro-benzimidazol-2-yl)methyl]piperazino]butan-1-one Formula: C17H23N5O3 MolecularWeight: 345.39622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O3/c1-3-4-17(23)21-9-7-20(8-10-21)12-16-18-14-11-13(22(24)25)5-6-15(14)19(16)2/h5-6,11H,3-4,7-10,12H2,1-2H3