(3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-bromanyl-4-ethoxy-5-methoxy-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Openeye Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone CAS Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methanone IUPAC Name: (3-bromo-4-ethoxy-5-methoxyphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone Traditional Name: (3-bromo-4-ethoxy-5-methoxy-phenyl)-[4-[3-(trifluoromethyl)phenyl]piperazino]methanone Formula: C21H22BrF3N2O3 MolecularWeight: 487.31019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22BrF3N2O3/c1-3-30-19-17(22)11-14(12-18(19)29-2)20(28)27-9-7-26(8-10-27)16-6-4-5-15(13-16)21(23,24)25/h4-6,11-13H,3,7-10H2,1-2H3