4-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-[[2-(phenoxymethyl)-1-benzimidazolyl]methyl]-1-piperidinyl]methyl]benzonitrile IUPAC Name: 4-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]benzonitrile Traditional Name: 4-[4-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]benzonitrile Formula: C28H26N4O2 MolecularWeight: 450.53164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CN(CCC1CN2C3=CC=CC=C3N=C2COC4=CC=CC=C4)C(=O)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H26N4O2/c29-18-21-10-12-23(13-11-21)28(33)31-16-14-22(15-17-31)19-32-26-9-5-4-8-25(26)30-27(32)20-34-24-6-2-1-3-7-24/h1-13,22H,14-17,19-20H2