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

Systemtic Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-6-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-6-methyl-1,4-benzoxazin-3-one CAS Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-6-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-6-methyl-1,4-benzoxazin-3-one Traditional Name: 4-[4-keto-4-(4-piperonylpiperazino)butyl]-6-methyl-1,4-benzoxazin-3-one Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC2=C(C=C1)OCC(=O)N2CCCC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H29N3O5/c1-18-4-6-21-20(13-18)28(25(30)16-31-21)8-2-3-24(29)27-11-9-26(10-12-27)15-19-5-7-22-23(14-19)33-17-32-22/h4-7,13-14H,2-3,8-12,15-17H2,1H3