7-ethyl-5-piperazin-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinazolin-2-one

Systemtic Name: 7-ethyl-5-piperazin-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinazolin-2-one Openeye Name: 7-ethyl-5-piperazin-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinazolin-2-one CAS Name: 7-ethyl-5-(1-piperazinyl)-1-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinazolin-2-one IUPAC Name: 7-ethyl-5-piperazin-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinazolin-2-one Traditional Name: 7-ethyl-5-piperazino-1-[2-(trifluoromethyl)benzyl]-3,4-dihydroquinazolin-2-one Formula: C22H25F3N4O MolecularWeight: 418.45531

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(CNC(=O)N2CC3=CC=CC=C3C(F)(F)F)C(=C1)N4CCNCC4

Isomeric SMILES

CCC1=CC2=C(CNC(=O)N2CC3=CC=CC=C3C(F)(F)F)C(=C1)N4CCNCC4

InChI

InChI=1S/C22H25F3N4O/c1-2-15-11-19(28-9-7-26-8-10-28)17-13-27-21(30)29(20(17)12-15)14-16-5-3-4-6-18(16)22(23,24)25/h3-6,11-12,26H,2,7-10,13-14H2,1H3,(H,27,30)