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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-6-(4-hydroxybut-1-ynyl)-1-methyl-4-oxo-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-hydroxybut-1-ynyl)-1-methyl-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(4-hydroxybut-1-ynyl)-1-methyl-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-6-(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=C(C=C2)C#CCCO)C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3/c1-25-18-10-7-14(4-2-3-11-26)12-17(18)20(27)19(24-25)21(28)23-13-15-5-8-16(22)9-6-15/h5-10,12,26H,3,11,13H2,1H3,(H,23,28)