5-[2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]carbonylbenzimidazol-1-yl]pentanenitrile

Systemtic Name: 5-[2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]carbonylbenzimidazol-1-yl]pentanenitrile Openeye Name: 5-[2-[1-[1-(4-methoxyphenyl)ethyl]piperidine-4-carbonyl]benzimidazol-1-yl]pentanenitrile CAS Name: 5-[2-[[1-[1-(4-methoxyphenyl)ethyl]-4-piperidinyl]-oxomethyl]-1-benzimidazolyl]pentanenitrile IUPAC Name: 5-[2-[1-[1-(4-methoxyphenyl)ethyl]piperidine-4-carbonyl]benzimidazol-1-yl]pentanenitrile Traditional Name: 5-[2-[1-[1-(4-methoxyphenyl)ethyl]isonipecotoyl]benzimidazol-1-yl]valeronitrile Formula: C27H32N4O2 MolecularWeight: 444.56858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC)N2CCC(CC2)C(=O)C3=NC4=CC=CC=C4N3CCCCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)OC)N2CCC(CC2)C(=O)C3=NC4=CC=CC=C4N3CCCCC#N

InChI

InChI=1S/C27H32N4O2/c1-20(21-10-12-23(33-2)13-11-21)30-18-14-22(15-19-30)26(32)27-29-24-8-4-5-9-25(24)31(27)17-7-3-6-16-28/h4-5,8-13,20,22H,3,6-7,14-15,17-19H2,1-2H3