3-[2-[4-[3-methoxy-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[2-[4-[3-methoxy-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one Openeye Name: 3-[2-[4-[3-methoxy-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one CAS Name: 3-[2-[4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-piperazinyl]ethyl]-1H-benzimidazol-2-one IUPAC Name: 3-[2-[4-[3-methoxy-5-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-1H-benzimidazol-2-one Traditional Name: 3-[2-[4-[3-methoxy-5-(trifluoromethyl)phenyl]piperazino]ethyl]-1H-benzimidazol-2-one Formula: C21H23F3N4O2 MolecularWeight: 420.42813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCN(CC2)CCN3C4=CC=CC=C4NC3=O)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCN(CC2)CCN3C4=CC=CC=C4NC3=O)C(F)(F)F

InChI

InChI=1S/C21H23F3N4O2/c1-30-17-13-15(21(22,23)24)12-16(14-17)27-9-6-26(7-10-27)8-11-28-19-5-3-2-4-18(19)25-20(28)29/h2-5,12-14H,6-11H2,1H3,(H,25,29)