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

Systemtic Name: 2-methyl-1-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]-2-phenoxy-propan-1-one Openeye Name: 2-methyl-1-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazin-1-yl]-2-phenoxy-propan-1-one CAS Name: 2-methyl-1-[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-2-phenoxy-1-propanone IUPAC Name: 2-methyl-1-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]-2-phenoxypropan-1-one Traditional Name: 2-methyl-1-[4-(4-nitro-3-piperidino-phenyl)piperazino]-2-phenoxy-propan-1-one Formula: C25H32N4O4 MolecularWeight: 452.54598

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4/c1-25(2,33-21-9-5-3-6-10-21)24(30)28-17-15-26(16-18-28)20-11-12-22(29(31)32)23(19-20)27-13-7-4-8-14-27/h3,5-6,9-12,19H,4,7-8,13-18H2,1-2H3