1-(4-phenylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione hydrochloride

Systemtic Name: 1-(4-phenylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Openeye Name: 1-(4-phenylphenyl)-4-[4-(4-pyridyl)piperazin-1-yl]butane-1,4-dione hydrochloride CAS Name: 1-(4-phenylphenyl)-4-(4-pyridin-4-yl-1-piperazinyl)butane-1,4-dione hydrochloride IUPAC Name: 1-(4-phenylphenyl)-4-(4-pyridin-4-ylpiperazin-1-yl)butane-1,4-dione hydrochloride Traditional Name: 1-(4-phenylphenyl)-4-[4-(4-pyridyl)piperazino]butane-1,4-dione hydrochloride Formula: C25H26ClN3O2 MolecularWeight: 435.94584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)CCC(=O)C3=CC=C(C=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C25H25N3O2.ClH/c29-24(22-8-6-21(7-9-22)20-4-2-1-3-5-20)10-11-25(30)28-18-16-27(17-19-28)23-12-14-26-15-13-23;/h1-9,12-15H,10-11,16-19H2;1H