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

Systemtic Name: 4-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one Openeye Name: 4-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one CAS Name: 4-[[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one IUPAC Name: 4-[[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]methyl]-6-tert-butyl-1,4-benzoxazin-3-one Traditional Name: 6-tert-butyl-4-[3-(4-piperonylpiperazine-1-carbonyl)benzyl]-1,4-benzoxazin-3-one Formula: C32H35N3O5 MolecularWeight: 541.6374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35N3O5/c1-32(2,3)25-8-10-27-26(17-25)35(30(36)20-38-27)19-22-5-4-6-24(15-22)31(37)34-13-11-33(12-14-34)18-23-7-9-28-29(16-23)40-21-39-28/h4-10,15-17H,11-14,18-21H2,1-3H3