3-[4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[[1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[[1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-[(1-benzylbenzimidazol-2-yl)methyl]piperazine-1-carbonyl]benzonitrile Formula: C27H25N5O MolecularWeight: 435.5203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)C5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)C5=CC=CC(=C5)C#N

InChI

InChI=1S/C27H25N5O/c28-18-22-9-6-10-23(17-22)27(33)31-15-13-30(14-16-31)20-26-29-24-11-4-5-12-25(24)32(26)19-21-7-2-1-3-8-21/h1-12,17H,13-16,19-20H2