1-[4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-(3-bromo-4-ethoxy-5-methoxy-benzoyl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(3-bromo-4-ethoxy-5-methoxy-benzoyl)piperazino]-2-methyl-propan-1-one Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C(=O)C(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C(=O)C(C)C)OC

InChI

InChI=1S/C18H25BrN2O4/c1-5-25-16-14(19)10-13(11-15(16)24-4)18(23)21-8-6-20(7-9-21)17(22)12(2)3/h10-12H,5-9H2,1-4H3