(E)-3-(5-bromanyl-2-methoxy-phenyl)-1-(4-methyl-2-phenyl-piperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-(4-methyl-2-phenyl-piperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(4-methyl-2-phenyl-piperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-(4-methyl-2-phenyl-1-piperazinyl)-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-(4-methyl-2-phenylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-(4-methyl-2-phenyl-piperazino)prop-2-en-1-one Formula: C21H23BrN2O2 MolecularWeight: 415.32352

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C=CC3=C(C=CC(=C3)Br)OC

Isomeric SMILES

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)/C=C/C3=C(C=CC(=C3)Br)OC

InChI

InChI=1S/C21H23BrN2O2/c1-23-12-13-24(19(15-23)16-6-4-3-5-7-16)21(25)11-8-17-14-18(22)9-10-20(17)26-2/h3-11,14,19H,12-13,15H2,1-2H3/b11-8+