2-[[2-(1H-benzimidazol-2-yl)-4-(2-methoxyphenyl)carbonyl-piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(2-methoxyphenyl)carbonyl-piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(2-methoxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[2-(1H-benzimidazol-2-yl)-4-[(2-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[2-(1H-benzimidazol-2-yl)-4-(2-methoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[2-(1H-benzimidazol-2-yl)-4-o-anisoyl-piperazino]methyl]benzonitrile Formula: C27H25N5O2 MolecularWeight: 451.5197

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CCN(C(C2)C3=NC4=CC=CC=C4N3)CC5=CC=CC=C5C#N

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CCN(C(C2)C3=NC4=CC=CC=C4N3)CC5=CC=CC=C5C#N

InChI

InChI=1S/C27H25N5O2/c1-34-25-13-7-4-10-21(25)27(33)32-15-14-31(17-20-9-3-2-8-19(20)16-28)24(18-32)26-29-22-11-5-6-12-23(22)30-26/h2-13,24H,14-15,17-18H2,1H3,(H,29,30)