1-[azepan-4-yl-[3-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea

Systemtic Name: 1-[azepan-4-yl-[3-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea Openeye Name: 1-[azepan-4-yl-[3-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea CAS Name: 1-[4-azepanyl-[3-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea IUPAC Name: 1-[azepan-4-yl-[3-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea Traditional Name: 1-[azepan-4-yl-[3-(trifluoromethyl)phenyl]methyl]-3-(1H-indazol-4-yl)urea Formula: C22H24F3N5O MolecularWeight: 431.45407

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCNC1)C(C2=CC(=CC=C2)C(F)(F)F)NC(=O)NC3=CC=CC4=C3C=NN4

Isomeric SMILES

C1CC(CCNC1)C(C2=CC(=CC=C2)C(F)(F)F)NC(=O)NC3=CC=CC4=C3C=NN4

InChI

InChI=1S/C22H24F3N5O/c23-22(24,25)16-6-1-4-15(12-16)20(14-5-3-10-26-11-9-14)29-21(31)28-18-7-2-8-19-17(18)13-27-30-19/h1-2,4,6-8,12-14,20,26H,3,5,9-11H2,(H,27,30)(H2,28,29,31)