4-[4-[3-(hydroxymethyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]-2,2-diphenyl-butanenitrile

Systemtic Name: 4-[4-[3-(hydroxymethyl)-2-oxidanylidene-benzimidazol-1-yl]piperidin-1-yl]-2,2-diphenyl-butanenitrile Openeye Name: 4-[4-[3-(hydroxymethyl)-2-oxo-benzimidazol-1-yl]-1-piperidyl]-2,2-diphenyl-butanenitrile CAS Name: 4-[4-[3-(hydroxymethyl)-2-oxo-1-benzimidazolyl]-1-piperidinyl]-2,2-diphenylbutanenitrile IUPAC Name: 4-[4-[3-(hydroxymethyl)-2-oxobenzimidazol-1-yl]piperidin-1-yl]-2,2-diphenylbutanenitrile Traditional Name: 4-[4-(2-keto-3-methylol-benzimidazol-1-yl)piperidino]-2,2-diphenyl-butyronitrile Formula: C29H30N4O2 MolecularWeight: 466.5741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3N(C2=O)CO)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O2/c30-21-29(23-9-3-1-4-10-23,24-11-5-2-6-12-24)17-20-31-18-15-25(16-19-31)33-27-14-8-7-13-26(27)32(22-34)28(33)35/h1-14,25,34H,15-20,22H2