1-(2-tert-butyl-5-cyano-phenyl)-3-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]urea

Systemtic Name: 1-(2-tert-butyl-5-cyano-phenyl)-3-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]urea Openeye Name: 1-(2-benzylisoindolin-5-yl)-3-(2-tert-butyl-5-cyano-phenyl)urea CAS Name: 1-(2-tert-butyl-5-cyanophenyl)-3-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]urea IUPAC Name: 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-3-(2-tert-butyl-5-cyanophenyl)urea Traditional Name: 1-(2-benzylisoindolin-5-yl)-3-(2-tert-butyl-5-cyano-phenyl)urea Formula: C27H28N4O MolecularWeight: 424.53742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C#N)NC(=O)NC2=CC3=C(CN(C3)CC4=CC=CC=C4)C=C2

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C#N)NC(=O)NC2=CC3=C(CN(C3)CC4=CC=CC=C4)C=C2

InChI

InChI=1S/C27H28N4O/c1-27(2,3)24-12-9-20(15-28)13-25(24)30-26(32)29-23-11-10-21-17-31(18-22(21)14-23)16-19-7-5-4-6-8-19/h4-14H,16-18H2,1-3H3,(H2,29,30,32)