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

Systemtic Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]-3-(3-bromophenyl)urea Openeye Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-methyl-propyl]-3-(3-bromophenyl)urea CAS Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-3-(3-bromophenyl)urea IUPAC Name: 1-[1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-3-(3-bromophenyl)urea Traditional Name: 1-(3-bromophenyl)-3-[2-methyl-1-(4-piperonylpiperazine-1-carbonyl)propyl]urea Formula: C24H29BrN4O4 MolecularWeight: 517.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)NC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C24H29BrN4O4/c1-16(2)22(27-24(31)26-19-5-3-4-18(25)13-19)23(30)29-10-8-28(9-11-29)14-17-6-7-20-21(12-17)33-15-32-20/h3-7,12-13,16,22H,8-11,14-15H2,1-2H3,(H2,26,27,31)