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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-8-(4-oxidanylbutyl)-4-oxidanylidene-cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybutyl)-1-methyl-4-oxo-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybutyl)-1-methyl-6-(4-oxanylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybutyl)-1-methyl-6-(oxan-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybutyl)-4-keto-1-methyl-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide Formula: C27H32ClN3O4 MolecularWeight: 498.01368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl)CC4CCOCC4)CCCCO

Isomeric SMILES

CN1C2=C(C=C(C=C2C(=O)C(=N1)C(=O)NCC3=CC=C(C=C3)Cl)CC4CCOCC4)CCCCO

InChI

InChI=1S/C27H32ClN3O4/c1-31-25-21(4-2-3-11-32)15-20(14-18-9-12-35-13-10-18)16-23(25)26(33)24(30-31)27(34)29-17-19-5-7-22(28)8-6-19/h5-8,15-16,18,32H,2-4,9-14,17H2,1H3,(H,29,34)