2-[[2-(1H-benzimidazol-2-yl)-4-(3-methylbutanoyl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(3-methylbutanoyl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(3-methylbutanoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(3-methyl-1-oxobutyl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(3-methylbutanoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-(1H-benzimidazol-2-yl)-4-isovaleryl-piperazino]methyl]benzonitrile Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(C(C1)C2=NC3=CC=CC=C3N2)CC4=CC=CC=C4C#N

Isomeric SMILES

CC(C)CC(=O)N1CCN(C(C1)C2=NC3=CC=CC=C3N2)CC4=CC=CC=C4C#N

InChI

InChI=1S/C24H27N5O/c1-17(2)13-23(30)29-12-11-28(15-19-8-4-3-7-18(19)14-25)22(16-29)24-26-20-9-5-6-10-21(20)27-24/h3-10,17,22H,11-13,15-16H2,1-2H3,(H,26,27)