3-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-2H-phthalazine-1,4-quinone Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C23H25N5O2S/c29-22-17-7-1-2-8-18(17)23(30)28(24-22)12-6-5-11-26-13-15-27(16-14-26)21-19-9-3-4-10-20(19)31-25-21/h1-4,7-10H,5-6,11-16H2,(H,24,29)