2-methyl-6-[[[4-nitro-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-methyl-6-[[[4-nitro-3-(trifluoromethyl)phenyl]-prop-2-ynyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-methyl-6-[[4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one CAS Name: 2-methyl-6-[[4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-methyl-6-[[4-nitro-N-prop-2-ynyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Traditional Name: 2-methyl-6-[[4-nitro-N-propargyl-3-(trifluoromethyl)anilino]methyl]-1H-quinazolin-4-one Formula: C20H15F3N4O3 MolecularWeight: 416.35331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC(=C(C=C3)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C20H15F3N4O3/c1-3-8-26(14-5-7-18(27(29)30)16(10-14)20(21,22)23)11-13-4-6-17-15(9-13)19(28)25-12(2)24-17/h1,4-7,9-10H,8,11H2,2H3,(H,24,25,28)