4-[[2-(1H-imidazol-2-ylmethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 4-[[2-(1H-imidazol-2-ylmethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-4-[2-(1H-imidazol-2-ylmethyl)anilino]-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 3-hydroxy-4-[2-(1H-imidazol-2-ylmethyl)anilino]-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-4-[2-(1H-imidazol-2-ylmethyl)anilino]-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[2-(1H-imidazol-2-ylmethyl)anilino]-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H22N4O2 MolecularWeight: 374.43568

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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=CN4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC4=NC=CN4)O)C

InChI

InChI=1S/C22H22N4O2/c1-22(2)21(27)20(16-11-14(13-23)7-8-18(16)28-22)26-17-6-4-3-5-15(17)12-19-24-9-10-25-19/h3-11,20-21,26-27H,12H2,1-2H3,(H,24,25)