4-[3-[5-(1-azanyl-2-methyl-propyl)-1,2,3-triazol-1-yl]phenyl]-7-(2-methylpropylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one

Systemtic Name: 4-[3-[5-(1-azanyl-2-methyl-propyl)-1,2,3-triazol-1-yl]phenyl]-7-(2-methylpropylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Openeye Name: 4-[3-[5-(1-amino-2-methyl-propyl)triazol-1-yl]phenyl]-7-(isobutylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one CAS Name: 4-[3-[5-(1-amino-2-methylpropyl)-1-triazolyl]phenyl]-7-(2-methylpropylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one IUPAC Name: 4-[3-[5-(1-amino-2-methylpropyl)triazol-1-yl]phenyl]-7-(2-methylpropylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Traditional Name: 4-[3-[5-(1-amino-2-methyl-propyl)triazol-1-yl]phenyl]-7-(isobutylamino)-8-(trifluoromethyl)-1,3-dihydro-1,5-benzodiazepin-2-one Formula: C26H30F3N7O MolecularWeight: 513.55791

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=CC=C3)N4C(=CN=N4)C(C(C)C)N

Isomeric SMILES

CC(C)CNC1=CC2=C(C=C1C(F)(F)F)NC(=O)CC(=N2)C3=CC(=CC=C3)N4C(=CN=N4)C(C(C)C)N

InChI

InChI=1S/C26H30F3N7O/c1-14(2)12-31-20-10-22-21(9-18(20)26(27,28)29)34-24(37)11-19(33-22)16-6-5-7-17(8-16)36-23(13-32-35-36)25(30)15(3)4/h5-10,13-15,25,31H,11-12,30H2,1-4H3,(H,34,37)