1-(3-cyanophenyl)-3-[2-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]urea

Systemtic Name: 1-(3-cyanophenyl)-3-[2-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]urea Openeye Name: 1-[2-[(4-benzyl-1-piperidyl)methyl]phenyl]-3-(3-cyanophenyl)urea CAS Name: 1-(3-cyanophenyl)-3-[2-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]urea IUPAC Name: 1-[2-[(4-benzylpiperidin-1-yl)methyl]phenyl]-3-(3-cyanophenyl)urea Traditional Name: 1-[2-[(4-benzylpiperidino)methyl]phenyl]-3-(3-cyanophenyl)urea Formula: C27H28N4O MolecularWeight: 424.53742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3NC(=O)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CC3=CC=CC=C3NC(=O)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H28N4O/c28-19-23-9-6-11-25(18-23)29-27(32)30-26-12-5-4-10-24(26)20-31-15-13-22(14-16-31)17-21-7-2-1-3-8-21/h1-12,18,22H,13-17,20H2,(H2,29,30,32)