1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-(phenylmethyl)urea

Systemtic Name: 1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-isoxazol-4-yl)urea CAS Name: 1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-4-isoxazolyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-(5-methyl-3-phenyl-isoxazol-4-yl)urea Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)NC(=O)N(CCC#N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)NC(=O)N(CCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O2/c1-16-19(20(24-27-16)18-11-6-3-7-12-18)23-21(26)25(14-8-13-22)15-17-9-4-2-5-10-17/h2-7,9-12H,8,14-15H2,1H3,(H,23,26)