4-[3-[5-(hydroxymethyl)-1,2,3-triazol-1-yl]phenyl]-7-[methyl(2-methylpropyl)amino]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-[5-(hydroxymethyl)-1,2,3-triazol-1-yl]phenyl]-7-[methyl(2-methylpropyl)amino]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-7-[isobutyl(methyl)amino]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-[5-(hydroxymethyl)-1-triazolyl]phenyl]-7-[methyl(2-methylpropyl)amino]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-[5-(hydroxymethyl)triazol-1-yl]phenyl]-7-[methyl(2-methylpropyl)amino]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 7-[isobutyl(methyl)amino]-4-[3-(5-methyloltriazol-1-yl)phenyl]-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C24H25F3N6O2 MolecularWeight: 486.48951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=CC=C3)N4C(=CN=N4)CO

Isomeric SMILES

CC(C)CN(C)C1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=CC=C3)N4C(=CN=N4)CO

InChI

InChI=1S/C24H25F3N6O2/c1-14(2)12-32(3)22-9-21-20(8-18(22)24(25,26)27)30-23(35)10-19(29-21)15-5-4-6-16(7-15)33-17(13-34)11-28-31-33/h4-9,11,14,34H,10,12-13H2,1-3H3,(H,30,35)