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

Systemtic Name: 4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-6-ethanoyl-1,4-benzoxazin-3-one Openeye Name: 6-acetyl-4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one CAS Name: 6-acetyl-4-[[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-1,4-benzoxazin-3-one IUPAC Name: 6-acetyl-4-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-1,4-benzoxazin-3-one Traditional Name: 6-acetyl-4-[4-(4-piperonylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C30H29N3O6 MolecularWeight: 527.56776

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OCC(=O)N2CC3=CC=C(C=C3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H29N3O6/c1-20(34)24-7-9-26-25(15-24)33(29(35)18-37-26)17-21-2-5-23(6-3-21)30(36)32-12-10-31(11-13-32)16-22-4-8-27-28(14-22)39-19-38-27/h2-9,14-15H,10-13,16-19H2,1H3