4-[[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylfuran-2-yl]methyl]-7-methyl-1,4-benzoxazin-3-one

Systemtic Name: 4-[[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylfuran-2-yl]methyl]-7-methyl-1,4-benzoxazin-3-one Openeye Name: 4-[[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-2-furyl]methyl]-7-methyl-1,4-benzoxazin-3-one CAS Name: 4-[[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]-2-furanyl]methyl]-7-methyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]furan-2-yl]methyl]-7-methyl-1,4-benzoxazin-3-one Traditional Name: 7-methyl-4-[[5-(4-piperonylpiperazine-1-carbonyl)-2-furyl]methyl]-1,4-benzoxazin-3-one Formula: C27H27N3O6 MolecularWeight: 489.51978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=C(O3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)CO2)CC3=CC=C(O3)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H27N3O6/c1-18-2-5-21-24(12-18)33-16-26(31)30(21)15-20-4-7-23(36-20)27(32)29-10-8-28(9-11-29)14-19-3-6-22-25(13-19)35-17-34-22/h2-7,12-13H,8-11,14-17H2,1H3