1-(benzimidazol-1-yl)-3-(2-butyl-4-nitro-piperazin-1-yl)propan-2-ol

Systemtic Name: 1-(benzimidazol-1-yl)-3-(2-butyl-4-nitro-piperazin-1-yl)propan-2-ol Openeye Name: 1-(benzimidazol-1-yl)-3-(2-butyl-4-nitro-piperazin-1-yl)propan-2-ol CAS Name: 1-(1-benzimidazolyl)-3-(2-butyl-4-nitro-1-piperazinyl)-2-propanol IUPAC Name: 1-(benzimidazol-1-yl)-3-(2-butyl-4-nitropiperazin-1-yl)propan-2-ol Traditional Name: 1-(benzimidazol-1-yl)-3-(2-butyl-4-nitro-piperazino)propan-2-ol Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CCN1CC(CN2C=NC3=CC=CC=C32)O)[N+](=O)[O-]

Isomeric SMILES

CCCCC1CN(CCN1CC(CN2C=NC3=CC=CC=C32)O)[N+](=O)[O-]

InChI

InChI=1S/C18H27N5O3/c1-2-3-6-15-11-22(23(25)26)10-9-20(15)12-16(24)13-21-14-19-17-7-4-5-8-18(17)21/h4-5,7-8,14-16,24H,2-3,6,9-13H2,1H3