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

Systemtic Name: 1-(4-butoxyphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(4-butoxyphenyl)-3-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]urea CAS Name: 1-(4-butoxyphenyl)-3-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]urea IUPAC Name: 1-(4-butoxyphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(4-butoxyphenyl)-3-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]urea Formula: C27H33N5O2 MolecularWeight: 459.58322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C27H33N5O2/c1-2-3-20-34-25-13-11-24(12-14-25)30-27(33)29-23-9-7-22(8-10-23)21-31-16-18-32(19-17-31)26-6-4-5-15-28-26/h4-15H,2-3,16-21H2,1H3,(H2,29,30,33)