4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-6,7-dimethoxy-quinazoline

Systemtic Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-6,7-dimethoxy-quinazoline Openeye Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-6,7-dimethoxy-quinazoline CAS Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-6,7-dimethoxyquinazoline IUPAC Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-6,7-dimethoxyquinazoline Traditional Name: 4-[4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazino]-6,7-dimethoxy-quinazoline Formula: C21H19F3N6O6 MolecularWeight: 508.40737

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C4=C(C=C(C=C4[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC

InChI

InChI=1S/C21H19F3N6O6/c1-35-17-9-13-14(10-18(17)36-2)25-11-26-20(13)28-5-3-27(4-6-28)19-15(29(31)32)7-12(21(22,23)24)8-16(19)30(33)34/h7-11H,3-6H2,1-2H3