2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(2-bromanyl-4-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one CAS Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(4-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(2-bromo-4-methylphenoxy)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(2-bromo-4-methyl-phenoxy)-1-[4-(4-nitrophenyl)piperazino]propan-1-one Formula: C20H22BrN3O4 MolecularWeight: 448.31038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)OC(C)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H22BrN3O4/c1-14-3-8-19(18(21)13-14)28-15(2)20(25)23-11-9-22(10-12-23)16-4-6-17(7-5-16)24(26)27/h3-8,13,15H,9-12H2,1-2H3