2-[[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[5-chloranyl-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[5-chloro-2-nitro-4-(trifluoromethyl)phenyl]piperazino]methyl]-1H-quinazolin-4-one Formula: C20H17ClF3N5O3 MolecularWeight: 467.82889

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C4=C(C=C(C(=C4)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC(=O)C3=CC=CC=C3N2)C4=C(C=C(C(=C4)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H17ClF3N5O3/c21-14-10-16(17(29(31)32)9-13(14)20(22,23)24)28-7-5-27(6-8-28)11-18-25-15-4-2-1-3-12(15)19(30)26-18/h1-4,9-10H,5-8,11H2,(H,25,26,30)