4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(3-ethanoylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-N-(3-ethanoylphenyl)piperazine-1-carboxamide Openeye Name: N-(3-acetylphenyl)-4-[1-[(3-cyanophenyl)methyl]-4-piperidyl]piperazine-1-carboxamide CAS Name: N-(3-acetylphenyl)-4-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-1-piperazinecarboxamide IUPAC Name: N-(3-acetylphenyl)-4-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]piperazine-1-carboxamide Traditional Name: N-(3-acetylphenyl)-4-[1-(3-cyanobenzyl)-4-piperidyl]piperazine-1-carboxamide Formula: C26H31N5O2 MolecularWeight: 445.55664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H31N5O2/c1-20(32)23-6-3-7-24(17-23)28-26(33)31-14-12-30(13-15-31)25-8-10-29(11-9-25)19-22-5-2-4-21(16-22)18-27/h2-7,16-17,25H,8-15,19H2,1H3,(H,28,33)