N-[(4-chlorophenyl)methyl]-6-(oxan-4-yl)-8-(4-oxidanylbutyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-yl)-8-(4-oxidanylbutyl)-4-oxidanylidene-1H-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybutyl)-4-oxo-6-tetrahydropyran-4-yl-1H-cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybutyl)-6-(4-oxanyl)-4-oxo-1H-cinnoline-3-carboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybutyl)-6-(oxan-4-yl)-4-oxo-1H-cinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybutyl)-4-keto-6-tetrahydropyran-4-yl-1H-cinnoline-3-carboxamide Formula: C25H28ClN3O4 MolecularWeight: 469.96052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC(=C3C(=C2)C(=O)C(=NN3)C(=O)NCC4=CC=C(C=C4)Cl)CCCCO

Isomeric SMILES

C1COCCC1C2=CC(=C3C(=C2)C(=O)C(=NN3)C(=O)NCC4=CC=C(C=C4)Cl)CCCCO

InChI

InChI=1S/C25H28ClN3O4/c26-20-6-4-16(5-7-20)15-27-25(32)23-24(31)21-14-19(17-8-11-33-12-9-17)13-18(3-1-2-10-30)22(21)28-29-23/h4-7,13-14,17,30H,1-3,8-12,15H2,(H,27,32)(H,28,31)