2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazin-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazin-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazin-1-yl)-3-oxo-butanenitrile CAS Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methyl-1-piperazinyl)-3-oxobutanenitrile IUPAC Name: 2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazin-1-yl)-3-oxobutanenitrile Traditional Name: 3-keto-2-(3-methyl-1H-benzimidazol-2-ylidene)-4-(4-methylpiperazino)butyronitrile Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

Isomeric SMILES

CN1CCN(CC1)CC(=O)C(=C2NC3=CC=CC=C3N2C)C#N

InChI

InChI=1S/C17H21N5O/c1-20-7-9-22(10-8-20)12-16(23)13(11-18)17-19-14-5-3-4-6-15(14)21(17)2/h3-6,19H,7-10,12H2,1-2H3