4-azanyl-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione

Systemtic Name: 4-azanyl-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Openeye Name: 4-amino-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]isoindoline-1,3-dione CAS Name: 4-amino-2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]methyl]isoindole-1,3-dione IUPAC Name: 4-amino-2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]isoindole-1,3-dione Traditional Name: 4-amino-2-[(4-piperonylpiperazino)methyl]isoindoline-1,3-quinone Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=C(C4=O)C(=CC=C5)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CN4C(=O)C5=C(C4=O)C(=CC=C5)N

InChI

InChI=1S/C21H22N4O4/c22-16-3-1-2-15-19(16)21(27)25(20(15)26)12-24-8-6-23(7-9-24)11-14-4-5-17-18(10-14)29-13-28-17/h1-5,10H,6-9,11-13,22H2