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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-8-(3-oxidanylbut-1-ynyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxybut-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxybut-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C27H28ClN3O4 MolecularWeight: 493.98192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#CC1=CC(=CC2=C1N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)CN4CCOCC4)O

Isomeric SMILES

CC(C#CC1=CC(=CC2=C1N(C=C(C2=O)C(=O)NCC3=CC=C(C=C3)Cl)C)CN4CCOCC4)O

InChI

InChI=1S/C27H28ClN3O4/c1-18(32)3-6-21-13-20(16-31-9-11-35-12-10-31)14-23-25(21)30(2)17-24(26(23)33)27(34)29-15-19-4-7-22(28)8-5-19/h4-5,7-8,13-14,17-18,32H,9-12,15-16H2,1-2H3,(H,29,34)