N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-8-(3-oxidanylprop-1-ynyl)cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-4-oxidanylidene-8-(3-oxidanylprop-1-ynyl)cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(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=CC=C2C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl)C#CCO

Isomeric SMILES

CN1C2=C(C=CC=C2C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl)C#CCO

InChI

InChI=1S/C20H16ClN3O3/c1-24-18-14(5-3-11-25)4-2-6-16(18)19(26)17(23-24)20(27)22-12-13-7-9-15(21)10-8-13/h2,4,6-10,25H,11-12H2,1H3,(H,22,27)