[4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone

Systemtic Name: [4-[(5-bromanyl-2-methoxy-phenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone Openeye Name: [4-[(5-bromo-2-methoxy-phenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone CAS Name: [4-[(5-bromo-2-methoxyphenyl)methyl]-1-piperazinyl]-(2,6-dimethoxyphenyl)methanone IUPAC Name: [4-[(5-bromo-2-methoxyphenyl)methyl]piperazin-1-yl]-(2,6-dimethoxyphenyl)methanone Traditional Name: [4-(5-bromo-2-methoxy-benzyl)piperazino]-(2,6-dimethoxyphenyl)methanone Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O4/c1-26-17-8-7-16(22)13-15(17)14-23-9-11-24(12-10-23)21(25)20-18(27-2)5-4-6-19(20)28-3/h4-8,13H,9-12,14H2,1-3H3