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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-8-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybut-1-ynyl)-4-keto-1-methyl-cinnoline-3-carboxamide Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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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#CCCO

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3/c1-25-19-15(5-2-3-12-26)6-4-7-17(19)20(27)18(24-25)21(28)23-13-14-8-10-16(22)11-9-14/h4,6-11,26H,3,12-13H2,1H3,(H,23,28)