1-[4-[4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(3-bromo-4-ethoxy-5-methoxy-benzoyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-bromo-4-ethoxy-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(3-bromo-4-ethoxy-5-methoxybenzoyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-bromo-4-ethoxy-5-methoxy-benzoyl)piperazino]phenyl]ethanone Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C)OC

InChI

InChI=1S/C22H25BrN2O4/c1-4-29-21-19(23)13-17(14-20(21)28-3)22(27)25-11-9-24(10-12-25)18-7-5-16(6-8-18)15(2)26/h5-8,13-14H,4,9-12H2,1-3H3