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

Systemtic Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-ethanoyl-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[4-keto-4-(4-piperonylpiperazino)butyl]-1,4-benzoxazin-3-one Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H29N3O6/c1-18(30)20-5-7-22-21(14-20)29(26(32)16-33-22)8-2-3-25(31)28-11-9-27(10-12-28)15-19-4-6-23-24(13-19)35-17-34-23/h4-7,13-14H,2-3,8-12,15-17H2,1H3