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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(oxan-4-ylmethyl)-4-oxidanylidene-8-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-4-oxo-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-6-(4-oxanylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-6-(oxan-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxyprop-1-ynyl)-4-keto-1-methyl-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide Formula: C27H27ClN2O4 MolecularWeight: 478.96728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27ClN2O4/c1-30-17-24(27(33)29-16-19-4-6-22(28)7-5-19)26(32)23-15-20(13-18-8-11-34-12-9-18)14-21(25(23)30)3-2-10-31/h4-7,14-15,17-18,31H,8-13,16H2,1H3,(H,29,33)