N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-6-(3-oxidanylprop-1-ynyl)cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(3-hydroxyprop-1-ynyl)-4-keto-1-methyl-cinnoline-3-carboxamide Formula: C20H16ClN3O3 MolecularWeight: 381.81234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C#CCO)C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2)C#CCO)C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H16ClN3O3/c1-24-17-9-6-13(3-2-10-25)11-16(17)19(26)18(23-24)20(27)22-12-14-4-7-15(21)8-5-14/h4-9,11,25H,10,12H2,1H3,(H,22,27)