N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenoxy]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenoxy]propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[4-[[4-(2-pyrimidyl)piperazino]methyl]phenoxy]propyl]-piperonylamide Formula: C26H29N5O4 MolecularWeight: 475.53956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4/c32-25(21-5-8-23-24(17-21)35-19-34-23)27-11-2-16-33-22-6-3-20(4-7-22)18-30-12-14-31(15-13-30)26-28-9-1-10-29-26/h1,3-10,17H,2,11-16,18-19H2,(H,27,32)