3-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-oxidanylidene-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-oxo-3-[4-(2-thienylmethyl)piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-oxo-3-[4-(thiophen-2-ylmethyl)-1-piperazinyl]propyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-oxo-3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[4-(2-thenyl)piperazino]propyl]-2H-phthalazine-1,4-quinone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1CC2=CC=CS2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H22N4O3S/c25-18(23-11-9-22(10-12-23)14-15-4-3-13-28-15)7-8-24-20(27)17-6-2-1-5-16(17)19(26)21-24/h1-6,13H,7-12,14H2,(H,21,26)