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

Systemtic Name: 1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-[4-(1,2,4-oxadiazol-5-yl)phenyl]urea Openeye Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[4-(1,2,4-oxadiazol-5-yl)phenyl]urea CAS Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-[4-(1,2,4-oxadiazol-5-yl)phenyl]urea IUPAC Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-[4-(1,2,4-oxadiazol-5-yl)phenyl]urea Traditional Name: 1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-[4-(1,2,4-oxadiazol-5-yl)phenyl]urea Formula: C21H19N5O4 MolecularWeight: 405.40666

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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=C(C=C3)C4=NC=NO4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)NC3=CC=C(C=C3)C4=NC=NO4)O)C

InChI

InChI=1S/C21H19N5O4/c1-21(2)18(27)17(15-9-12(10-22)3-8-16(15)29-21)26-20(28)25-14-6-4-13(5-7-14)19-23-11-24-30-19/h3-9,11,17-18,27H,1-2H3,(H2,25,26,28)