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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20F3N5O4/c23-22(24,25)15-5-6-18(19(13-15)30(33)34)27-9-11-28(12-10-27)20(31)7-8-29-14-26-17-4-2-1-3-16(17)21(29)32/h1-6,13-14H,7-12H2