1-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-[1-(phenylmethyl)piperidin-4-yl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoranyl-4-methyl-phenyl)-1-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzyl-4-piperidyl)-3-(3-fluoro-4-methyl-phenyl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-fluoro-4-methylphenyl)-1-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(3-fluoro-4-methyl-phenyl)-1-piperonyl-urea Formula: C28H30FN3O3 MolecularWeight: 475.554503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)CC5=CC=CC=C5)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)CC5=CC=CC=C5)F

InChI

InChI=1S/C28H30FN3O3/c1-20-7-9-23(16-25(20)29)30-28(33)32(18-22-8-10-26-27(15-22)35-19-34-26)24-11-13-31(14-12-24)17-21-5-3-2-4-6-21/h2-10,15-16,24H,11-14,17-19H2,1H3,(H,30,33)