2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]cyclohepta-2,4,6-trien-1-one Traditional Name: 2-(4-piperonylpiperazino)cyclohepta-2,4,6-trien-1-one Formula: C19H20N2O3 MolecularWeight: 324.3737

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=CC4=O

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=CC4=O

InChI

InChI=1S/C19H20N2O3/c22-17-5-3-1-2-4-16(17)21-10-8-20(9-11-21)13-15-6-7-18-19(12-15)24-14-23-18/h1-7,12H,8-11,13-14H2