N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide

Systemtic Name: N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-4-(4-oxidanylidene-1H-quinazolin-2-yl)butanamide Openeye Name: N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide CAS Name: N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide IUPAC Name: N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-4-(4-oxo-1H-quinazolin-2-yl)butanamide Traditional Name: N-[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]-4-(4-keto-1H-quinazolin-2-yl)butyramide Formula: C25H27F3N4O2 MolecularWeight: 472.50269

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CCC(CC1)NC2=C(C=C(C=C2)C(F)(F)F)NC(=O)CCCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C25H27F3N4O2/c26-25(27,28)16-13-14-20(29-17-7-2-1-3-8-17)21(15-16)31-23(33)12-6-11-22-30-19-10-5-4-9-18(19)24(34)32-22/h4-5,9-10,13-15,17,29H,1-3,6-8,11-12H2,(H,31,33)(H,30,32,34)