2-[1-(2-dimethylaminoethylamino)-3-methyl-butan-2-yl]-3-(phenylmethyl)-7-(trifluoromethyl)quinazolin-4-one

Systemtic Name: 2-[1-(2-dimethylaminoethylamino)-3-methyl-butan-2-yl]-3-(phenylmethyl)-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[1-[(2-dimethylaminoethylamino)methyl]-2-methyl-propyl]-7-(trifluoromethyl)quinazolin-4-one CAS Name: 2-[1-(2-dimethylaminoethylamino)-3-methylbutan-2-yl]-3-(phenylmethyl)-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[1-(2-dimethylaminoethylamino)-3-methylbutan-2-yl]-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-benzyl-2-[1-[(2-dimethylaminoethylamino)methyl]-2-methyl-propyl]-7-(trifluoromethyl)quinazolin-4-one Formula: C25H31F3N4O MolecularWeight: 460.53505

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCCN(C)C)C1=NC2=C(C=CC(=C2)C(F)(F)F)C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CC(C)C(CNCCN(C)C)C1=NC2=C(C=CC(=C2)C(F)(F)F)C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C25H31F3N4O/c1-17(2)21(15-29-12-13-31(3)4)23-30-22-14-19(25(26,27)28)10-11-20(22)24(33)32(23)16-18-8-6-5-7-9-18/h5-11,14,17,21,29H,12-13,15-16H2,1-4H3