N-[2-[4-(4-butoxyphenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-[4-(4-butoxyphenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-butoxybenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(4-butoxyphenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-butoxybenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-butoxybenzoyl)piperazino]ethyl]-piperonylamide Formula: C25H31N3O5 MolecularWeight: 453.53074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O5/c1-2-3-16-31-21-7-4-19(5-8-21)25(30)28-14-12-27(13-15-28)11-10-26-24(29)20-6-9-22-23(17-20)33-18-32-22/h4-9,17H,2-3,10-16,18H2,1H3,(H,26,29)