3-(4-fluorophenyl)-1-(2-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea

Systemtic Name: 3-(4-fluorophenyl)-1-(2-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Openeye Name: 3-(4-fluorophenyl)-1-(o-tolyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea CAS Name: 3-(4-fluorophenyl)-1-(2-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea IUPAC Name: 3-(4-fluorophenyl)-1-(2-methylphenyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)urea Traditional Name: 3-(4-fluorophenyl)-1-(o-tolyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazol[4,3-a]azepin-3-ylmethyl)urea Formula: C22H24FN5O MolecularWeight: 393.457263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1N(CC2=NN=C3N2CCCCC3)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24FN5O/c1-16-7-4-5-8-19(16)28(22(29)24-18-12-10-17(23)11-13-18)15-21-26-25-20-9-3-2-6-14-27(20)21/h4-5,7-8,10-13H,2-3,6,9,14-15H2,1H3,(H,24,29)