3-[3-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-oxidanylidene-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-oxo-3-[4-(4-pyridyl)piperazin-1-yl]propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-oxo-3-(4-pyridin-4-yl-1-piperazinyl)propyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-keto-3-[4-(4-pyridyl)piperazino]propyl]-2H-phthalazine-1,4-quinone Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H21N5O3/c26-18(24-13-11-23(12-14-24)15-5-8-21-9-6-15)7-10-25-20(28)17-4-2-1-3-16(17)19(27)22-25/h1-6,8-9H,7,10-14H2,(H,22,27)