[4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]-(4-fluorophenyl)methanone

Systemtic Name: [4-(3-bromanyl-5-methoxy-4-propoxy-phenyl)carbonylpiperazin-1-yl]-(4-fluorophenyl)methanone Openeye Name: [4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone CAS Name: [4-[(3-bromo-5-methoxy-4-propoxyphenyl)-oxomethyl]-1-piperazinyl]-(4-fluorophenyl)methanone IUPAC Name: [4-(3-bromo-5-methoxy-4-propoxybenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone Traditional Name: [4-(3-bromo-5-methoxy-4-propoxy-benzoyl)piperazino]-(4-fluorophenyl)methanone Formula: C22H24BrFN2O4 MolecularWeight: 479.339363

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H24BrFN2O4/c1-3-12-30-20-18(23)13-16(14-19(20)29-2)22(28)26-10-8-25(9-11-26)21(27)15-4-6-17(24)7-5-15/h4-7,13-14H,3,8-12H2,1-2H3