4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-tert-butyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-6-tert-butyl-1,4-benzoxazin-3-one Openeye Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-6-tert-butyl-1,4-benzoxazin-3-one IUPAC Name: 4-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[2-keto-2-(4-piperonylpiperazino)ethyl]-1,4-benzoxazin-3-one Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OCC(=O)N2CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N3O5/c1-26(2,3)19-5-7-21-20(13-19)29(25(31)16-32-21)15-24(30)28-10-8-27(9-11-28)14-18-4-6-22-23(12-18)34-17-33-22/h4-7,12-13H,8-11,14-17H2,1-3H3