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

Systemtic Name: 3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: 3-(5-bromo-2-methoxy-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 3-(5-bromo-2-methoxyphenyl)-1-[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 3-(5-bromo-2-methoxyphenyl)-1-[4-(4-methoxy-2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 3-(5-bromo-2-methoxy-phenyl)-1-[4-(4-methoxy-2-nitro-phenyl)piperazino]prop-2-en-1-one Formula: C21H22BrN3O5 MolecularWeight: 476.32048

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22BrN3O5/c1-29-17-5-6-18(19(14-17)25(27)28)23-9-11-24(12-10-23)21(26)8-3-15-13-16(22)4-7-20(15)30-2/h3-8,13-14H,9-12H2,1-2H3