1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-3-ylmethyl)urea

Systemtic Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-methoxy-5-methyl-phenyl)-1-(pyridin-3-ylmethyl)urea Openeye Name: 1-[1-[(3-cyanophenyl)methyl]-4-piperidyl]-3-(2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)urea CAS Name: 1-[1-[(3-cyanophenyl)methyl]-4-piperidinyl]-3-(2-methoxy-5-methylphenyl)-1-(3-pyridinylmethyl)urea IUPAC Name: 1-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-3-(2-methoxy-5-methylphenyl)-1-(pyridin-3-ylmethyl)urea Traditional Name: 1-[1-(3-cyanobenzyl)-4-piperidyl]-3-(2-methoxy-5-methyl-phenyl)-1-(3-pyridylmethyl)urea Formula: C28H31N5O2 MolecularWeight: 469.57804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)N(CC2=CN=CC=C2)C3CCN(CC3)CC4=CC=CC(=C4)C#N

InChI

InChI=1S/C28H31N5O2/c1-21-8-9-27(35-2)26(15-21)31-28(34)33(20-24-7-4-12-30-18-24)25-10-13-32(14-11-25)19-23-6-3-5-22(16-23)17-29/h3-9,12,15-16,18,25H,10-11,13-14,19-20H2,1-2H3,(H,31,34)