3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(3-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-1-[4-(3-methoxyphenyl)piperazino]propan-1-one Formula: C21H25BrN2O3 MolecularWeight: 433.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3/c1-26-18-5-3-4-17(15-18)23-10-12-24(13-11-23)21(25)9-7-16-6-8-20(27-2)19(22)14-16/h3-6,8,14-15H,7,9-13H2,1-2H3