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

Systemtic Name: 2-[3-methyl-1-(phenethylamino)butan-2-yl]-3-(phenylmethyl)-7-(trifluoromethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[2-methyl-1-[(phenethylamino)methyl]propyl]-7-(trifluoromethyl)quinazolin-4-one CAS Name: 2-[3-methyl-1-(phenethylamino)butan-2-yl]-3-(phenylmethyl)-7-(trifluoromethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[3-methyl-1-(phenethylamino)butan-2-yl]-7-(trifluoromethyl)quinazolin-4-one Traditional Name: 3-benzyl-2-[2-methyl-1-[(phenethylamino)methyl]propyl]-7-(trifluoromethyl)quinazolin-4-one Formula: C29H30F3N3O MolecularWeight: 493.56321

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNCCC1=CC=CC=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C)C(CNCCC1=CC=CC=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C29H30F3N3O/c1-20(2)25(18-33-16-15-21-9-5-3-6-10-21)27-34-26-17-23(29(30,31)32)13-14-24(26)28(36)35(27)19-22-11-7-4-8-12-22/h3-14,17,20,25,33H,15-16,18-19H2,1-2H3