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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-bromanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-bromo-cyclohepta-2,4,6-trien-1-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-bromo-1-cyclohepta-2,4,6-trienone IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-bromocyclohepta-2,4,6-trien-1-one Traditional Name: 2-bromo-7-(4-piperonylpiperazino)cyclohepta-2,4,6-trien-1-one Formula: C19H19BrN2O3 MolecularWeight: 403.26976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O3/c20-15-3-1-2-4-16(19(15)23)22-9-7-21(8-10-22)12-14-5-6-17-18(11-14)25-13-24-17/h1-6,11H,7-10,12-13H2