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

Systemtic Name: 1-(3-methylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(m-tolyl)-3-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]urea CAS Name: 1-(3-methylphenyl)-3-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(m-tolyl)-3-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]urea Formula: C24H27N5O MolecularWeight: 401.50408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C24H27N5O/c1-19-5-4-6-22(17-19)27-24(30)26-21-10-8-20(9-11-21)18-28-13-15-29(16-14-28)23-7-2-3-12-25-23/h2-12,17H,13-16,18H2,1H3,(H2,26,27,30)