3-(3-bromophenyl)-1-[(4-tert-butylphenyl)methyl]-1-[1-(phenylmethyl)piperidin-4-yl]urea

Systemtic Name: 3-(3-bromophenyl)-1-[(4-tert-butylphenyl)methyl]-1-[1-(phenylmethyl)piperidin-4-yl]urea Openeye Name: 1-(1-benzyl-4-piperidyl)-3-(3-bromophenyl)-1-[(4-tert-butylphenyl)methyl]urea CAS Name: 3-(3-bromophenyl)-1-[(4-tert-butylphenyl)methyl]-1-[1-(phenylmethyl)-4-piperidinyl]urea IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)-1-[(4-tert-butylphenyl)methyl]urea Traditional Name: 1-(1-benzyl-4-piperidyl)-3-(3-bromophenyl)-1-(4-tert-butylbenzyl)urea Formula: C30H36BrN3O MolecularWeight: 534.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN(C2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN(C2CCN(CC2)CC3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C30H36BrN3O/c1-30(2,3)25-14-12-24(13-15-25)22-34(29(35)32-27-11-7-10-26(31)20-27)28-16-18-33(19-17-28)21-23-8-5-4-6-9-23/h4-15,20,28H,16-19,21-22H2,1-3H3,(H,32,35)