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

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]urea Openeye Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(3-methylisoxazol-5-yl)phenyl]urea CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[3-(3-methyl-5-isoxazolyl)phenyl]urea IUPAC Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[3-(3-methyl-1,2-oxazol-5-yl)phenyl]urea Traditional Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[3-(3-methylisoxazol-5-yl)phenyl]urea Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)C2=CC(=CC=C2)NC(=O)NC3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O

Isomeric SMILES

CC1=NOC(=C1)C2=CC(=CC=C2)NC(=O)NC3C(C(OC4=C3C=C(C=C4)C#N)(C)C)O

InChI

InChI=1S/C23H22N4O4/c1-13-9-19(31-27-13)15-5-4-6-16(11-15)25-22(29)26-20-17-10-14(12-24)7-8-18(17)30-23(2,3)21(20)28/h4-11,20-21,28H,1-3H3,(H2,25,26,29)