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2-[(2-methyl-6-nitro-phenyl)amino]-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide
2-[(2-methyl-6-nitro-phenyl)amino]-4-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-quinazoline-1-carboxamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=C(C(=CC=C1)[N+](=O)[O-])NC2=NC(=C3CCCCC3N2C(=O)N)C(F)(F)F
Isomeric SMILES
CC1=C(C(=CC=C1)[N+](=O)[O-])NC2=NC(=C3CCCCC3N2C(=O)N)C(F)(F)F
InChI
InChI=1S/C17H18F3N5O3/c1-9-5-4-8-12(25(27)28)13(9)22-16-23-14(17(18,19)20)10-6-2-3-7-11(10)24(16)15(21)26/h4-5,8,11H,2-3,6-7H2,1H3,(H2,21,26)(H,22,23)
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