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

Systemtic Name: N-[2-[4-(4-tert-butylphenyl)carbonylpiperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-[4-[(4-tert-butylphenyl)-oxomethyl]-1-piperazinyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-[4-(4-tert-butylbenzoyl)piperazino]ethyl]-piperonylamide Formula: C25H31N3O4 MolecularWeight: 437.53134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O4/c1-25(2,3)20-7-4-18(5-8-20)24(30)28-14-12-27(13-15-28)11-10-26-23(29)19-6-9-21-22(16-19)32-17-31-21/h4-9,16H,10-15,17H2,1-3H3,(H,26,29)