3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(6-nitro-3-pyridyl)piperazino]propan-1-one Formula: C19H21BrN4O4 MolecularWeight: 449.29844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN4O4/c1-28-17-5-2-14(12-16(17)20)3-7-19(25)23-10-8-22(9-11-23)15-4-6-18(21-13-15)24(26)27/h2,4-6,12-13H,3,7-11H2,1H3