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

Systemtic Name: (E)-3-(5-bromanyl-2-methoxy-phenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromo-2-methoxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-methoxy-phenyl)-1-[4-(2,3-dimethylphenyl)piperazino]prop-2-en-1-one Formula: C22H25BrN2O2 MolecularWeight: 429.3501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C=CC3=C(C=CC(=C3)Br)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)/C=C/C3=C(C=CC(=C3)Br)OC)C

InChI

InChI=1S/C22H25BrN2O2/c1-16-5-4-6-20(17(16)2)24-11-13-25(14-12-24)22(26)10-7-18-15-19(23)8-9-21(18)27-3/h4-10,15H,11-14H2,1-3H3/b10-7+