3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: 3-[3,5-bis(bromanyl)-2-methoxy-phenyl]-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(3,5-dibromo-2-methoxy-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(3,5-dibromo-2-methoxyphenyl)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(3,5-dibromo-2-methoxyphenyl)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(3,5-dibromo-2-methoxy-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]prop-2-en-1-one Formula: C21H21Br2N3O5 MolecularWeight: 555.21654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC(=CC(=C3OC)Br)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC(=CC(=C3OC)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H21Br2N3O5/c1-30-16-4-5-18(19(13-16)26(28)29)24-7-9-25(10-8-24)20(27)6-3-14-11-15(22)12-17(23)21(14)31-2/h3-6,11-13H,7-10H2,1-2H3