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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-8-(4-oxidanylbut-1-ynyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-4-oxo-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-6-(4-oxanylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxybut-1-ynyl)-1-methyl-6-(oxan-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxybut-1-ynyl)-4-keto-1-methyl-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide Formula: C28H29ClN2O4 MolecularWeight: 492.99386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)C2=C1C(=CC(=C2)CC3CCOCC3)C#CCCO)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C(=CC(=C2)CC3CCOCC3)C#CCCO)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H29ClN2O4/c1-31-18-25(28(34)30-17-20-5-7-23(29)8-6-20)27(33)24-16-21(14-19-9-12-35-13-10-19)15-22(26(24)31)4-2-3-11-32/h5-8,15-16,18-19,32H,3,9-14,17H2,1H3,(H,30,34)