4-[[2-[[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[2-[[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-4-[2-[[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-4-[2-[[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-4-[2-[[3-(hydroxymethyl)-1,2,4-oxadiazol-5-yl]methyl]anilino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-dimethyl-4-[2-[(3-methylol-1,2,4-oxadiazol-5-yl)methyl]anilino]chroman-6-carbonitrile Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC4=NC(=NO4)CO)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC4=NC(=NO4)CO)O)C

InChI

InChI=1S/C22H22N4O4/c1-22(2)21(28)20(15-9-13(11-23)7-8-17(15)29-22)24-16-6-4-3-5-14(16)10-19-25-18(12-27)26-30-19/h3-9,20-21,24,27-28H,10,12H2,1-2H3