1-(1,3-benzodioxol-5-yl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]urea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[[4-(2-pyridinyl)-1-piperazinyl]methyl]phenyl]urea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]urea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[4-[[4-(2-pyridyl)piperazino]methyl]phenyl]urea Formula: C24H25N5O3 MolecularWeight: 431.487

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)NC(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=CC=N5

InChI

InChI=1S/C24H25N5O3/c30-24(27-20-8-9-21-22(15-20)32-17-31-21)26-19-6-4-18(5-7-19)16-28-11-13-29(14-12-28)23-3-1-2-10-25-23/h1-10,15H,11-14,16-17H2,(H2,26,27,30)