4-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-5-oxidanylidene-pyrido[2,3-d]pyridazin-8-yl]benzamide

Systemtic Name: 4-[6-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]-5-oxidanylidene-pyrido[2,3-d]pyridazin-8-yl]benzamide Openeye Name: 4-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-oxo-pyrido[2,3-d]pyridazin-8-yl]benzamide CAS Name: 4-[6-[(1-oxido-4-pyridin-1-iumyl)methyl]-5-oxo-8-pyrido[2,3-d]pyridazinyl]benzamide IUPAC Name: 4-[6-[(1-oxidopyridin-1-ium-4-yl)methyl]-5-oxopyrido[2,3-d]pyridazin-8-yl]benzamide Traditional Name: 4-[5-keto-6-[(1-oxidopyridin-1-ium-4-yl)methyl]pyrido[2,3-d]pyridazin-8-yl]benzamide Formula: C20H15N5O3 MolecularWeight: 373.3648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=NN(C2=O)CC3=CC=[N+](C=C3)[O-])C4=CC=C(C=C4)C(=O)N)N=C1

Isomeric SMILES

C1=CC2=C(C(=NN(C2=O)CC3=CC=[N+](C=C3)[O-])C4=CC=C(C=C4)C(=O)N)N=C1

InChI

InChI=1S/C20H15N5O3/c21-19(26)15-5-3-14(4-6-15)17-18-16(2-1-9-22-18)20(27)25(23-17)12-13-7-10-24(28)11-8-13/h1-11H,12H2,(H2,21,26)