2-(5-chloranyl-2-oxidanyl-phenyl)-6-piperazin-1-yl-benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-phenyl)-6-piperazin-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-6-piperazin-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(5-chloro-2-hydroxyphenyl)-6-(1-piperazinyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-6-piperazin-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-6-piperazino-benzo[de]isoquinoline-1,3-quinone Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=C(C=CC(=C5)Cl)O

Isomeric SMILES

C1CN(CCN1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)C5=C(C=CC(=C5)Cl)O

InChI

InChI=1S/C22H18ClN3O3/c23-13-4-7-19(27)18(12-13)26-21(28)15-3-1-2-14-17(25-10-8-24-9-11-25)6-5-16(20(14)15)22(26)29/h1-7,12,24,27H,8-11H2