3-(4-butoxyphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-propanenitrile

Systemtic Name: 3-(4-butoxyphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxidanylidene-propanenitrile Openeye Name: 3-(4-butoxyphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxo-propanenitrile CAS Name: 3-(4-butoxyphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxopropanenitrile IUPAC Name: 3-(4-butoxyphenyl)-2-(3-methyl-1H-benzimidazol-2-ylidene)-3-oxopropanenitrile Traditional Name: 3-(4-butoxyphenyl)-3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)propionitrile Formula: C21H21N3O2 MolecularWeight: 347.41034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(=C2NC3=CC=CC=C3N2C)C#N

InChI

InChI=1S/C21H21N3O2/c1-3-4-13-26-16-11-9-15(10-12-16)20(25)17(14-22)21-23-18-7-5-6-8-19(18)24(21)2/h5-12,23H,3-4,13H2,1-2H3