2-(4-bromanylphenoxy)-2-methyl-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(4-bromanylphenoxy)-2-methyl-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(4-bromophenoxy)-2-methyl-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]propan-1-one CAS Name: 2-(4-bromophenoxy)-2-methyl-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-(4-bromophenoxy)-2-methyl-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(4-bromophenoxy)-2-methyl-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]propan-1-one Formula: C25H31BrN4O4 MolecularWeight: 531.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3)OC4=CC=C(C=C4)Br

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3)OC4=CC=C(C=C4)Br

InChI

InChI=1S/C25H31BrN4O4/c1-25(2,34-21-9-6-19(26)7-10-21)24(31)29-16-14-27(15-17-29)20-8-11-22(30(32)33)23(18-20)28-12-4-3-5-13-28/h6-11,18H,3-5,12-17H2,1-2H3