[5-(2-methylpropylamino)-2-[[3-oxidanylidene-3-[3-(1,2,4-triazol-1-yl)phenyl]propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid

Systemtic Name: [5-(2-methylpropylamino)-2-[[3-oxidanylidene-3-[3-(1,2,4-triazol-1-yl)phenyl]propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid Openeye Name: [5-(isobutylamino)-2-[[3-oxo-3-[3-(1,2,4-triazol-1-yl)phenyl]propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid CAS Name: [2-[[1,3-dioxo-3-[3-(1,2,4-triazol-1-yl)phenyl]propyl]amino]-5-(2-methylpropylamino)-4-(trifluoromethyl)phenyl]carbamic acid IUPAC Name: [5-(2-methylpropylamino)-2-[[3-oxo-3-[3-(1,2,4-triazol-1-yl)phenyl]propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid Traditional Name: [5-(isobutylamino)-2-[[3-keto-3-[3-(1,2,4-triazol-1-yl)phenyl]propanoyl]amino]-4-(trifluoromethyl)phenyl]carbamic acid Formula: C23H23F3N6O4 MolecularWeight: 504.46173

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=CC(=C(C=C1C(F)(F)F)NC(=O)CC(=O)C2=CC(=CC=C2)N3C=NC=N3)NC(=O)O

Isomeric SMILES

CC(C)CNC1=CC(=C(C=C1C(F)(F)F)NC(=O)CC(=O)C2=CC(=CC=C2)N3C=NC=N3)NC(=O)O

InChI

InChI=1S/C23H23F3N6O4/c1-13(2)10-28-17-8-19(31-22(35)36)18(7-16(17)23(24,25)26)30-21(34)9-20(33)14-4-3-5-15(6-14)32-12-27-11-29-32/h3-8,11-13,28,31H,9-10H2,1-2H3,(H,30,34)(H,35,36)