N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-tert-butyl-benzamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-tert-butyl-benzamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-tert-butyl-benzamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-4-tert-butylbenzamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-tert-butylbenzamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(4-methylpiperazino)ethyl]-4-tert-butyl-benzamide Formula: C25H33N3O3 MolecularWeight: 423.54782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)N4CCN(CC4)C

InChI

InChI=1S/C25H33N3O3/c1-25(2,3)20-8-5-18(6-9-20)24(29)26-16-21(28-13-11-27(4)12-14-28)19-7-10-22-23(15-19)31-17-30-22/h5-10,15,21H,11-14,16-17H2,1-4H3,(H,26,29)