1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-ethanoylphenyl)-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-ethanoylphenyl)-1-(pyridin-3-ylmethyl)urea Openeye Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-1-(3-pyridylmethyl)urea CAS Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-1-(3-pyridinylmethyl)urea IUPAC Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-(pyridin-3-ylmethyl)urea Traditional Name: 3-(3-acetylphenyl)-1-[1-(3-cyanobenzyl)-4-piperidyl]-1-(3-pyridylmethyl)urea Formula: C28H29N5O2 MolecularWeight: 467.56216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H29N5O2/c1-21(34)25-8-3-9-26(16-25)31-28(35)33(20-24-7-4-12-30-18-24)27-10-13-32(14-11-27)19-23-6-2-5-22(15-23)17-29/h2-9,12,15-16,18,27H,10-11,13-14,19-20H2,1H3,(H,31,35)