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

Systemtic Name: 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-yl-phenyl)-1-(phenylmethyl)urea Openeye Name: 1-benzyl-1-(2-cyanoethyl)-3-(2-isopropyl-6-methyl-phenyl)urea CAS Name: 1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)-1-(phenylmethyl)urea IUPAC Name: 1-benzyl-1-(2-cyanoethyl)-3-(2-methyl-6-propan-2-ylphenyl)urea Traditional Name: 1-benzyl-1-(2-cyanoethyl)-3-(2-isopropyl-6-methyl-phenyl)urea Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)N(CCC#N)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)N(CCC#N)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O/c1-16(2)19-12-7-9-17(3)20(19)23-21(25)24(14-8-13-22)15-18-10-5-4-6-11-18/h4-7,9-12,16H,8,14-15H2,1-3H3,(H,23,25)