2-[5-azanyl-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one

Systemtic Name: 2-[5-azanyl-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxidanylidene-2H-pyrrol-4-yl]-1H-quinazolin-4-one Openeye Name: 2-[5-amino-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one CAS Name: 2-[5-amino-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one IUPAC Name: 2-[5-amino-1-[3,5-bis(trifluoromethyl)phenyl]-3-oxo-2H-pyrrol-4-yl]-1H-quinazolin-4-one Traditional Name: 2-[2-amino-1-[3,5-bis(trifluoromethyl)phenyl]-4-keto-2-pyrrolin-3-yl]-1H-quinazolin-4-one Formula: C20H12F6N4O2 MolecularWeight: 454.325299

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(N1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1C(=O)C(=C(N1C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H12F6N4O2/c21-19(22,23)9-5-10(20(24,25)26)7-11(6-9)30-8-14(31)15(16(30)27)17-28-13-4-2-1-3-12(13)18(32)29-17/h1-7H,8,27H2,(H,28,29,32)