1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazine-3,6-dione dihydrochloride

Systemtic Name: 1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazine-3,6-dione dihydrochloride Openeye Name: 1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazine-3,6-dione dihydrochloride CAS Name: 1-phenyl-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]pyridazine-3,6-dione dihydrochloride IUPAC Name: 1-phenyl-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyridazine-3,6-dione dihydrochloride Traditional Name: 1-phenyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]pyridazine-3,6-quinone dihydrochloride Formula: C22H28Cl2N6O2 MolecularWeight: 479.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=NC=CC=N4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C=CC(=O)N2C3=CC=CC=C3)C4=NC=CC=N4.Cl.Cl

InChI

InChI=1S/C22H26N6O2.2ClH/c29-20-9-10-21(30)28(19-7-2-1-3-8-19)27(20)14-5-4-13-25-15-17-26(18-16-25)22-23-11-6-12-24-22;;/h1-3,6-12H,4-5,13-18H2;2*1H