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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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