2-chloranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline

Systemtic Name: 2-chloranyl-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline Openeye Name: 2-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline CAS Name: 2-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]quinazoline IUPAC Name: 2-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]quinazoline Traditional Name: 2-chloro-4-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]quinazoline Formula: C19H15ClF3N5O2 MolecularWeight: 437.80291

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC(=NC4=CC=CC=C43)Cl

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C3=NC(=NC4=CC=CC=C43)Cl

InChI

InChI=1S/C19H15ClF3N5O2/c20-18-24-14-4-2-1-3-13(14)17(25-18)27-9-7-26(8-10-27)15-6-5-12(19(21,22)23)11-16(15)28(29)30/h1-6,11H,7-10H2