1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)-1-[1-(phenylmethyl)piperidin-4-yl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)-1-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzyl-4-piperidyl)-3-(o-tolyl)urea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methylphenyl)-1-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(1-benzylpiperidin-4-yl)-3-(2-methylphenyl)urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(o-tolyl)-1-piperonyl-urea Formula: C28H31N3O3 MolecularWeight: 457.56404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N(CC2=CC3=C(C=C2)OCO3)C4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N3O3/c1-21-7-5-6-10-25(21)29-28(32)31(19-23-11-12-26-27(17-23)34-20-33-26)24-13-15-30(16-14-24)18-22-8-3-2-4-9-22/h2-12,17,24H,13-16,18-20H2,1H3,(H,29,32)