1-(2-cyanoethyl)-3-(2-ethyl-6-propan-2-yl-phenyl)-1-(phenylmethyl)urea

Systemtic Name: 1-(2-cyanoethyl)-3-(2-ethyl-6-propan-2-yl-phenyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-(2-ethyl-6-isopropyl-phenyl)urea CAS Name: 1-(2-cyanoethyl)-3-(2-ethyl-6-propan-2-ylphenyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-(2-ethyl-6-propan-2-ylphenyl)urea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-(2-ethyl-6-isopropyl-phenyl)urea Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)NC(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O/c1-4-19-12-8-13-20(17(2)3)21(19)24-22(26)25(15-9-14-23)16-18-10-6-5-7-11-18/h5-8,10-13,17H,4,9,15-16H2,1-3H3,(H,24,26)