[4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone

Systemtic Name: [4-(5-bromanyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]-(4-ethylphenyl)methanone Openeye Name: [4-(5-bromo-2-hydroxy-benzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone CAS Name: [4-[(5-bromo-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-(4-ethylphenyl)methanone IUPAC Name: [4-(5-bromo-2-hydroxybenzoyl)piperazin-1-yl]-(4-ethylphenyl)methanone Traditional Name: [4-(5-bromo-2-hydroxy-benzoyl)piperazino]-(4-ethylphenyl)methanone Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C20H21BrN2O3/c1-2-14-3-5-15(6-4-14)19(25)22-9-11-23(12-10-22)20(26)17-13-16(21)7-8-18(17)24/h3-8,13,24H,2,9-12H2,1H3