3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(4-chloro-2-nitro-phenyl)piperazino]propan-1-one Formula: C20H21BrClN3O4 MolecularWeight: 482.75544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C20H21BrClN3O4/c1-29-19-6-2-14(12-16(19)21)3-7-20(26)24-10-8-23(9-11-24)17-5-4-15(22)13-18(17)25(27)28/h2,4-6,12-13H,3,7-11H2,1H3