N-[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]-1-phenethyl-piperidine-3-carboxamide

Systemtic Name: N-[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]-1-phenethyl-piperidine-3-carboxamide Openeye Name: N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]-1-phenethyl-piperidine-3-carboxamide CAS Name: N-[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]-1-phenethyl-3-piperidinecarboxamide IUPAC Name: N-[1-(4-cyanophenyl)-2-(1H-imidazol-5-yl)propan-2-yl]-1-phenethylpiperidine-3-carboxamide Traditional Name: N-[2-(4-cyanophenyl)-1-(1H-imidazol-5-yl)-1-methyl-ethyl]-1-phenethyl-nipecotamide Formula: C27H31N5O MolecularWeight: 441.56794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CCCN(C3)CCC4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CCCN(C3)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31N5O/c1-27(25-18-29-20-30-25,16-22-9-11-23(17-28)12-10-22)31-26(33)24-8-5-14-32(19-24)15-13-21-6-3-2-4-7-21/h2-4,6-7,9-12,18,20,24H,5,8,13-16,19H2,1H3,(H,29,30)(H,31,33)