2-(1-methylbenzimidazol-2-yl)-4-[4-(4-methylphenyl)phenoxy]-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(1-methylbenzimidazol-2-yl)-4-[4-(4-methylphenyl)phenoxy]-3-oxidanylidene-butanenitrile Openeye Name: 2-(1-methylbenzimidazol-2-yl)-3-oxo-4-[4-(p-tolyl)phenoxy]butanenitrile CAS Name: 2-(1-methyl-2-benzimidazolyl)-4-[4-(4-methylphenyl)phenoxy]-3-oxobutanenitrile IUPAC Name: 2-(1-methylbenzimidazol-2-yl)-4-[4-(4-methylphenyl)phenoxy]-3-oxobutanenitrile Traditional Name: 3-keto-2-(1-methylbenzimidazol-2-yl)-4-[4-(p-tolyl)phenoxy]butyronitrile Formula: C25H21N3O2 MolecularWeight: 395.45314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(=O)C(C#N)C3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C25H21N3O2/c1-17-7-9-18(10-8-17)19-11-13-20(14-12-19)30-16-24(29)21(15-26)25-27-22-5-3-4-6-23(22)28(25)2/h3-14,21H,16H2,1-2H3