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

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(3-ethanoylphenyl)-1-phenethyl-urea Openeye Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-1-phenethyl-urea CAS Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-1-phenethylurea IUPAC Name: 3-(3-acetylphenyl)-1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-1-phenethylurea Traditional Name: 3-(3-acetylphenyl)-1-[1-(3-cyanobenzyl)-4-piperidyl]-1-phenethyl-urea Formula: C30H32N4O2 MolecularWeight: 480.60068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)N(CCC2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)N(CCC2=CC=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C30H32N4O2/c1-23(35)27-11-6-12-28(20-27)32-30(36)34(18-13-24-7-3-2-4-8-24)29-14-16-33(17-15-29)22-26-10-5-9-25(19-26)21-31/h2-12,19-20,29H,13-18,22H2,1H3,(H,32,36)