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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CCCCN3CCC4=CC=CC=C4

Isomeric SMILES

CC(CC1=CC=C(C=C1)C#N)(C2=CN=CN2)NC(=O)C3CCCCN3CCC4=CC=CC=C4

InChI

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