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

Systemtic Name: 4-[[2-(1H-benzimidazol-2-ylmethyl)phenyl]amino]-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 4-[2-(1H-benzimidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: 4-[2-(1H-benzimidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 4-[2-(1H-benzimidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile Traditional Name: 4-[2-(1H-benzimidazol-2-ylmethyl)anilino]-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C26H24N4O2 MolecularWeight: 424.49436

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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=NC5=CC=CC=C5N4)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=CC=CC=C3CC4=NC5=CC=CC=C5N4)O)C

InChI

InChI=1S/C26H24N4O2/c1-26(2)25(31)24(18-13-16(15-27)11-12-22(18)32-26)30-19-8-4-3-7-17(19)14-23-28-20-9-5-6-10-21(20)29-23/h3-13,24-25,30-31H,14H2,1-2H3,(H,28,29)