2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-thiophen-2-yl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-thiophen-2-yl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-(2-thienyl)cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-thiophen-2-yl-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-thiophen-2-ylcyclohepta-2,4,6-trien-1-one Traditional Name: 2-(4-piperonylpiperazino)-7-(2-thienyl)cyclohepta-2,4,6-trien-1-one Formula: C23H22N2O3S MolecularWeight: 406.49738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C(C4=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=CC=CC=C(C4=O)C5=CC=CS5

InChI

InChI=1S/C23H22N2O3S/c26-23-18(22-6-3-13-29-22)4-1-2-5-19(23)25-11-9-24(10-12-25)15-17-7-8-20-21(14-17)28-16-27-20/h1-8,13-14H,9-12,15-16H2