1-(4-bromanyl-3-methyl-phenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea

Systemtic Name: 1-(4-bromanyl-3-methyl-phenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea Openeye Name: 1-(4-bromo-3-methyl-phenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea CAS Name: 1-(4-bromo-3-methylphenyl)-3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]urea IUPAC Name: 1-(4-bromo-3-methylphenyl)-3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]urea Traditional Name: 1-(4-bromo-3-methyl-phenyl)-3-[3-[4-(2-methoxyphenyl)piperazino]propyl]urea Formula: C22H29BrN4O2 MolecularWeight: 461.39526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NCCCN2CCN(CC2)C3=CC=CC=C3OC)Br

InChI

InChI=1S/C22H29BrN4O2/c1-17-16-18(8-9-19(17)23)25-22(28)24-10-5-11-26-12-14-27(15-13-26)20-6-3-4-7-21(20)29-2/h3-4,6-9,16H,5,10-15H2,1-2H3,(H2,24,25,28)