1-(4-tert-butylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea

Systemtic Name: 1-(4-tert-butylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(4-tert-butylphenyl)-3-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]urea CAS Name: 1-(4-tert-butylphenyl)-3-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]urea IUPAC Name: 1-(4-tert-butylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(4-tert-butylphenyl)-3-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]urea Formula: C27H33N5O MolecularWeight: 443.58382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H33N5O/c1-27(2,3)22-9-13-24(14-10-22)30-26(33)29-23-11-7-21(8-12-23)20-31-16-18-32(19-17-31)25-6-4-5-15-28-25/h4-15H,16-20H2,1-3H3,(H2,29,30,33)