6-chloranyl-7-methyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[4-[3-(trifluoromethyl)phenyl]piperazino]methyl]coumarin Formula: C22H20ClF3N2O2 MolecularWeight: 436.85461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C22H20ClF3N2O2/c1-14-9-20-18(12-19(14)23)15(10-21(29)30-20)13-27-5-7-28(8-6-27)17-4-2-3-16(11-17)22(24,25)26/h2-4,9-12H,5-8,13H2,1H3