1-(2-nitro-5-piperazin-1-yl-phenyl)azepane hydrochloride

Systemtic Name: 1-(2-nitro-5-piperazin-1-yl-phenyl)azepane hydrochloride Openeye Name: 1-(2-nitro-5-piperazin-1-yl-phenyl)azepane hydrochloride CAS Name: 1-[2-nitro-5-(1-piperazinyl)phenyl]azepane hydrochloride IUPAC Name: 1-(2-nitro-5-piperazin-1-ylphenyl)azepane hydrochloride Traditional Name: 1-(2-nitro-5-piperazino-phenyl)azepane hydrochloride Formula: C16H25ClN4O2 MolecularWeight: 340.8483

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-].Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC(=C2)N3CCNCC3)[N+](=O)[O-].Cl

InChI

InChI=1S/C16H24N4O2.ClH/c21-20(22)15-6-5-14(18-11-7-17-8-12-18)13-16(15)19-9-3-1-2-4-10-19;/h5-6,13,17H,1-4,7-12H2;1H