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

Systemtic Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-(2-methylphenyl)urea Openeye Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-(o-tolyl)urea CAS Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-(2-methylphenyl)urea IUPAC Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(2-methylphenyl)urea Traditional Name: 1-[2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]-3-(o-tolyl)urea Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC(C(C)C)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H32N4O4/c1-17(2)23(27-25(31)26-20-7-5-4-6-18(20)3)24(30)29-12-10-28(11-13-29)15-19-8-9-21-22(14-19)33-16-32-21/h4-9,14,17,23H,10-13,15-16H2,1-3H3,(H2,26,27,31)