1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-methylphenyl)-3-oxidanylidene-propyl]urea

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-methylphenyl)-3-oxidanylidene-propyl]urea Openeye Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(o-tolyl)-3-oxo-propyl]urea CAS Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-(2-methylphenyl)-3-oxopropyl]urea IUPAC Name: [3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(2-methylphenyl)-3-oxopropyl]urea Traditional Name: [3-keto-1-(o-tolyl)-3-(4-piperonylpiperazino)propyl]urea Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)N

Isomeric SMILES

CC1=CC=CC=C1C(CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)NC(=O)N

InChI

InChI=1S/C23H28N4O4/c1-16-4-2-3-5-18(16)19(25-23(24)29)13-22(28)27-10-8-26(9-11-27)14-17-6-7-20-21(12-17)31-15-30-20/h2-7,12,19H,8-11,13-15H2,1H3,(H3,24,25,29)