1-(2-cyanoethyl)-3-phenyl-1-[2-[phenyl(phenylcarbamoyl)amino]cyclohexyl]urea

Systemtic Name: 1-(2-cyanoethyl)-3-phenyl-1-[2-[phenyl(phenylcarbamoyl)amino]cyclohexyl]urea Openeye Name: 1-(2-cyanoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]cyclohexyl]urea CAS Name: 1-[2-(N-[anilino(oxo)methyl]anilino)cyclohexyl]-1-(2-cyanoethyl)-3-phenylurea IUPAC Name: 1-(2-cyanoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]cyclohexyl]urea Traditional Name: 1-(2-cyanoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]cyclohexyl]urea Formula: C29H31N5O2 MolecularWeight: 481.58874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)N(CCC#N)C(=O)NC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)N(CCC#N)C(=O)NC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H31N5O2/c30-21-12-22-33(28(35)31-23-13-4-1-5-14-23)26-19-10-11-20-27(26)34(25-17-8-3-9-18-25)29(36)32-24-15-6-2-7-16-24/h1-9,13-18,26-27H,10-12,19-20,22H2,(H,31,35)(H,32,36)