4-[[3-(3-ethoxyphenyl)-1-methyl-2-oxidanylidene-benzimidazol-5-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile

Systemtic Name: 4-[[3-(3-ethoxyphenyl)-1-methyl-2-oxidanylidene-benzimidazol-5-yl]-(3-methylimidazol-4-yl)-oxidanyl-methyl]benzenecarbonitrile Openeye Name: 4-[[3-(3-ethoxyphenyl)-1-methyl-2-oxo-benzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile CAS Name: 4-[[3-(3-ethoxyphenyl)-1-methyl-2-oxo-5-benzimidazolyl]-hydroxy-(3-methyl-4-imidazolyl)methyl]benzonitrile IUPAC Name: 4-[[3-(3-ethoxyphenyl)-1-methyl-2-oxobenzimidazol-5-yl]-hydroxy-(3-methylimidazol-4-yl)methyl]benzonitrile Traditional Name: 4-[hydroxy-(2-keto-1-methyl-3-m-phenetyl-benzimidazol-5-yl)-(3-methylimidazol-4-yl)methyl]benzonitrile Formula: C28H25N5O3 MolecularWeight: 479.5298

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)N2C3=C(C=CC(=C3)C(C4=CC=C(C=C4)C#N)(C5=CN=CN5C)O)N(C2=O)C

Isomeric SMILES

CCOC1=CC=CC(=C1)N2C3=C(C=CC(=C3)C(C4=CC=C(C=C4)C#N)(C5=CN=CN5C)O)N(C2=O)C

InChI

InChI=1S/C28H25N5O3/c1-4-36-23-7-5-6-22(15-23)33-25-14-21(12-13-24(25)32(3)27(33)34)28(35,26-17-30-18-31(26)2)20-10-8-19(16-29)9-11-20/h5-15,17-18,35H,4H2,1-3H3