2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloranyl-naphthalene-1,4-dione

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloranyl-naphthalene-1,4-dione Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloro-naphthalene-1,4-dione CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-chloronaphthalene-1,4-dione IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione Traditional Name: 2-chloro-3-(4-piperonylpiperazino)-1,4-naphthoquinone Formula: C22H19ClN2O4 MolecularWeight: 410.85026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl

InChI

InChI=1S/C22H19ClN2O4/c23-19-20(22(27)16-4-2-1-3-15(16)21(19)26)25-9-7-24(8-10-25)12-14-5-6-17-18(11-14)29-13-28-17/h1-6,11H,7-10,12-13H2