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

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-4-oxo-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybut-1-ynyl)-4-keto-1H-cinnoline-3-carboxamide Formula: C20H16ClN3O3 MolecularWeight: 381.81234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)C(=O)C(=NN2)C(=O)NCC3=CC=C(C=C3)Cl)C#CCCO

Isomeric SMILES

C1=CC(=C2C(=C1)C(=O)C(=NN2)C(=O)NCC3=CC=C(C=C3)Cl)C#CCCO

InChI

InChI=1S/C20H16ClN3O3/c21-15-9-7-13(8-10-15)12-22-20(27)18-19(26)16-6-3-5-14(4-1-2-11-25)17(16)23-24-18/h3,5-10,25H,2,11-12H2,(H,22,27)(H,23,26)