4-(3-chlorophenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]phthalazin-1-one

Systemtic Name: 4-(3-chlorophenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]phthalazin-1-one Openeye Name: 4-(3-chlorophenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methyl]phthalazin-1-one CAS Name: 4-(3-chlorophenyl)-2-[(1-oxido-4-pyridin-1-iumyl)methyl]-1-phthalazinone IUPAC Name: 4-(3-chlorophenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methyl]phthalazin-1-one Traditional Name: 4-(3-chlorophenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methyl]phthalazin-1-one Formula: C20H14ClN3O2 MolecularWeight: 363.79706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=[N+](C=C3)[O-])C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=[N+](C=C3)[O-])C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H14ClN3O2/c21-16-5-3-4-15(12-16)19-17-6-1-2-7-18(17)20(25)24(22-19)13-14-8-10-23(26)11-9-14/h1-12H,13H2