N-[(4-chlorophenyl)methyl]-6-(oxan-4-yl)-4-oxidanylidene-8-(3-oxidanyl-3-phenyl-prop-1-ynyl)-1H-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-yl)-4-oxidanylidene-8-(3-oxidanyl-3-phenyl-prop-1-ynyl)-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenyl-prop-1-ynyl)-4-oxo-6-tetrahydropyran-4-yl-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenylprop-1-ynyl)-6-(4-oxanyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxy-3-phenylprop-1-ynyl)-6-(oxan-4-yl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxy-3-phenyl-prop-1-ynyl)-4-keto-6-tetrahydropyran-4-yl-1H-cinnoline-3-carboxamide Formula: C30H26ClN3O4 MolecularWeight: 527.99814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC3=C(C(=C2)C#CC(C4=CC=CC=C4)O)NN=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1COCCC1C2=CC3=C(C(=C2)C#CC(C4=CC=CC=C4)O)NN=C(C3=O)C(=O)NCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C30H26ClN3O4/c31-24-9-6-19(7-10-24)18-32-30(37)28-29(36)25-17-23(20-12-14-38-15-13-20)16-22(27(25)33-34-28)8-11-26(35)21-4-2-1-3-5-21/h1-7,9-10,16-17,20,26,35H,12-15,18H2,(H,32,37)(H,33,36)