7-chloranyl-2-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-[2-(trifluoromethyl)phenyl]carbonylpiperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-[oxo-[2-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[4-[2-(trifluoromethyl)benzoyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C21H18ClF3N4O2 MolecularWeight: 450.84143

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H18ClF3N4O2/c22-13-5-6-15-17(11-13)26-18(27-19(15)30)12-28-7-9-29(10-8-28)20(31)14-3-1-2-4-16(14)21(23,24)25/h1-6,11H,7-10,12H2,(H,26,27,30)