3-phenethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-1H-quinazoline-2,4-dione

Systemtic Name: 3-phenethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-1H-quinazoline-2,4-dione Openeye Name: 3-phenethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinazoline-2,4-dione CAS Name: 7-[oxo-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]-3-phenethyl-1H-quinazoline-2,4-dione IUPAC Name: 3-phenethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinazoline-2,4-dione Traditional Name: 3-phenethyl-7-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-1H-quinazoline-2,4-quinone Formula: C28H25F3N4O3 MolecularWeight: 522.51831

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)CCC5=CC=CC=C5

InChI

InChI=1S/C28H25F3N4O3/c29-28(30,31)21-7-4-8-22(18-21)33-13-15-34(16-14-33)25(36)20-9-10-23-24(17-20)32-27(38)35(26(23)37)12-11-19-5-2-1-3-6-19/h1-10,17-18H,11-16H2,(H,32,38)