1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(1H-imidazol-5-yl)phenyl]urea

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(1H-imidazol-5-yl)phenyl]urea Openeye Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(1H-imidazol-5-yl)phenyl]urea CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[3-(1H-imidazol-5-yl)phenyl]urea IUPAC Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(1H-imidazol-5-yl)phenyl]urea Traditional Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(1H-imidazol-5-yl)phenyl]urea Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC(=C3)C4=CN=CN4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=CC(=C3)C4=CN=CN4)O)C

InChI

InChI=1S/C22H21N5O3/c1-22(2)20(28)19(16-8-13(10-23)6-7-18(16)30-22)27-21(29)26-15-5-3-4-14(9-15)17-11-24-12-25-17/h3-9,11-12,19-20,28H,1-2H3,(H,24,25)(H2,26,27,29)