1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-1-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]urea

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-1-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]urea Openeye Name: 1-(2-benzylisoindolin-5-yl)-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)urea CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-1-[2-(phenylmethyl)-1,3-dihydroisoindol-5-yl]urea IUPAC Name: 1-(2-benzyl-1,3-dihydroisoindol-5-yl)-1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)urea Traditional Name: 1-(2-benzylisoindolin-5-yl)-1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)urea Formula: C28H28N4O3 MolecularWeight: 468.54692

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C3=CC4=C(CN(C4)CC5=CC=CC=C5)C=C3)C(=O)N)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(C3=CC4=C(CN(C4)CC5=CC=CC=C5)C=C3)C(=O)N)O)C

InChI

InChI=1S/C28H28N4O3/c1-28(2)26(33)25(23-12-19(14-29)8-11-24(23)35-28)32(27(30)34)22-10-9-20-16-31(17-21(20)13-22)15-18-6-4-3-5-7-18/h3-13,25-26,33H,15-17H2,1-2H3,(H2,30,34)