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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]urea CAS Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]urea IUPAC Name: 1-[(3,4-dimethoxyphenyl)methyl]-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]-3-veratryl-urea Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)NC2=CC=C(C=C2)CN3CCN(CC3)C4=CC=CC=N4)OC

InChI

InChI=1S/C26H31N5O3/c1-33-23-11-8-21(17-24(23)34-2)18-28-26(32)29-22-9-6-20(7-10-22)19-30-13-15-31(16-14-30)25-5-3-4-12-27-25/h3-12,17H,13-16,18-19H2,1-2H3,(H2,28,29,32)