N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1H-pyrido[3,4-c]pyridazine-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)-1H-pyrido[3,4-c]pyridazine-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-pyrido[3,4-c]pyridazine-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-pyrido[3,4-c]pyridazine-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-4-oxo-1H-pyrido[3,4-c]pyridazine-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1H-pyrido[3,4-c]pyridazine-3-carboxamide Formula: C18H13ClN4O3 MolecularWeight: 368.77382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=NNC3=C(C2=O)C=C(N=C3)C#CCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=NNC3=C(C2=O)C=C(N=C3)C#CCO)Cl

InChI

InChI=1S/C18H13ClN4O3/c19-12-5-3-11(4-6-12)9-21-18(26)16-17(25)14-8-13(2-1-7-24)20-10-15(14)22-23-16/h3-6,8,10,24H,7,9H2,(H,21,26)(H,22,25)