(E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(4-p-anisoylpiperazino)prop-2-en-1-one Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C22H23BrN2O4/c1-28-19-7-3-16(4-8-19)22(27)25-13-11-24(12-14-25)21(26)10-5-17-15-18(23)6-9-20(17)29-2/h3-10,15H,11-14H2,1-2H3/b10-5+