1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea

Systemtic Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea Openeye Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidyl]methyl]urea CAS Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]-4-piperidinyl]methyl]urea IUPAC Name: 1-(3-bromophenyl)-3-[[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]methyl]urea Traditional Name: 1-(3-bromophenyl)-3-[[1-(2,5-dimethylbenzyl)-4-piperidyl]methyl]urea Formula: C22H28BrN3O MolecularWeight: 430.38122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2CCC(CC2)CNC(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H28BrN3O/c1-16-6-7-17(2)19(12-16)15-26-10-8-18(9-11-26)14-24-22(27)25-21-5-3-4-20(23)13-21/h3-7,12-13,18H,8-11,14-15H2,1-2H3,(H2,24,25,27)