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

Systemtic Name: (3-bromanyl-5-methoxy-4-propoxy-phenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone Openeye Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone CAS Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(4-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: (3-bromo-5-methoxy-4-propoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone Traditional Name: (3-bromo-5-methoxy-4-propoxy-phenyl)-[4-(4-fluorophenyl)piperazino]methanone Formula: C21H24BrFN2O3 MolecularWeight: 451.329263

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrFN2O3/c1-3-12-28-20-18(22)13-15(14-19(20)27-2)21(26)25-10-8-24(9-11-25)17-6-4-16(23)5-7-17/h4-7,13-14H,3,8-12H2,1-2H3