3-[[4-(4-chloranylpyridin-2-yl)piperazin-1-yl]methyl]-5H-phenanthridin-6-one dihydrochloride

Systemtic Name: 3-[[4-(4-chloranylpyridin-2-yl)piperazin-1-yl]methyl]-5H-phenanthridin-6-one dihydrochloride Openeye Name: 3-[[4-(4-chloro-2-pyridyl)piperazin-1-yl]methyl]-5H-phenanthridin-6-one dihydrochloride CAS Name: 3-[[4-(4-chloro-2-pyridinyl)-1-piperazinyl]methyl]-5H-phenanthridin-6-one dihydrochloride IUPAC Name: 3-[[4-(4-chloropyridin-2-yl)piperazin-1-yl]methyl]-5H-phenanthridin-6-one dihydrochloride Traditional Name: 3-[[4-(4-chloro-2-pyridyl)piperazino]methyl]-5H-phenanthridin-6-one dihydrochloride Formula: C23H23Cl3N4O MolecularWeight: 477.81392

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)N3)C5=NC=CC(=C5)Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)N3)C5=NC=CC(=C5)Cl.Cl.Cl

InChI

InChI=1S/C23H21ClN4O.2ClH/c24-17-7-8-25-22(14-17)28-11-9-27(10-12-28)15-16-5-6-19-18-3-1-2-4-20(18)23(29)26-21(19)13-16;;/h1-8,13-14H,9-12,15H2,(H,26,29);2*1H