8-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one

Systemtic Name: 8-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxidanylidene-ethyl]quinazolin-4-one Openeye Name: 8-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxo-ethyl]quinazolin-4-one CAS Name: 8-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-2-oxoethyl]-4-quinazolinone IUPAC Name: 8-methyl-3-[2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]ethyl]-8-methyl-quinazolin-4-one Formula: C22H20F3N5O4 MolecularWeight: 475.42051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H20F3N5O4/c1-14-3-2-4-16-20(14)26-13-29(21(16)32)12-19(31)28-9-7-27(8-10-28)17-6-5-15(22(23,24)25)11-18(17)30(33)34/h2-6,11,13H,7-10,12H2,1H3