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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(3-oxidanylprop-1-ynyl)cinnoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-6-(4-oxanylmethyl)-4-oxo-3-cinnolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-6-(oxan-4-ylmethyl)-4-oxocinnoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxyprop-1-ynyl)-4-keto-1-methyl-6-(tetrahydropyran-4-ylmethyl)cinnoline-3-carboxamide Formula: C26H26ClN3O4 MolecularWeight: 479.95534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2C#CCO)CC3CCOCC3)C(=O)C(=N1)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=C(C=C2C#CCO)CC3CCOCC3)C(=O)C(=N1)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H26ClN3O4/c1-30-24-20(3-2-10-31)14-19(13-17-8-11-34-12-9-17)15-22(24)25(32)23(29-30)26(33)28-16-18-4-6-21(27)7-5-18/h4-7,14-15,17,31H,8-13,16H2,1H3,(H,28,33)