1-[2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-phenyl-amino]ethyl]urea

Systemtic Name: 1-[2-[(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-phenyl-amino]ethyl]urea Openeye Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino)ethylurea CAS Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)anilino)ethylurea IUPAC Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)anilino)ethylurea Traditional Name: 2-(N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)anilino)ethylurea Formula: C21H24N4O3 MolecularWeight: 380.44026

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCNC(=O)N)C3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N(CCNC(=O)N)C3=CC=CC=C3)O)C

InChI

InChI=1S/C21H24N4O3/c1-21(2)19(26)18(16-12-14(13-22)8-9-17(16)28-21)25(11-10-24-20(23)27)15-6-4-3-5-7-15/h3-9,12,18-19,26H,10-11H2,1-2H3,(H3,23,24,27)