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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(4-oxidanylpent-1-ynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(4-hydroxypent-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(4-hydroxypent-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C28H30ClN3O4 MolecularWeight: 508.0085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30ClN3O4/c1-19(33)4-3-5-22-14-21(17-32-10-12-36-13-11-32)15-24-26(22)31(2)18-25(27(24)34)28(35)30-16-20-6-8-23(29)9-7-20/h6-9,14-15,18-19,33H,4,10-13,16-17H2,1-2H3,(H,30,35)