6-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-[(3-methylisoxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-[(3-methyl-5-isoxazolyl)methyl]-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-[(3-methylisoxazol-5-yl)methyl]piperazino]methyl]sesamol Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CN2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC1=NOC(=C1)CN2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C17H21N3O4/c1-12-6-14(24-18-12)10-20-4-2-19(3-5-20)9-13-7-16-17(8-15(13)21)23-11-22-16/h6-8,21H,2-5,9-11H2,1H3