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

Systemtic Name: 8-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 8-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: 8-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: 8-but-1-ynyl-N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: 8-but-1-ynyl-N-(4-chlorobenzyl)-4-keto-1-methyl-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C27H28ClN3O3 MolecularWeight: 477.98252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3O3/c1-3-4-5-21-14-20(17-31-10-12-34-13-11-31)15-23-25(21)30(2)18-24(26(23)32)27(33)29-16-19-6-8-22(28)9-7-19/h6-9,14-15,18H,3,10-13,16-17H2,1-2H3,(H,29,33)