N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(5-oxidanylpent-1-ynyl)quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(5-oxidanylpent-1-ynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(5-hydroxypent-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(5-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:

CN1C=C(C(=O)C2=C1C(=CC(=C2)CN3CCOCC3)C#CCCCO)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C(=O)C2=C1C(=CC(=C2)CN3CCOCC3)C#CCCCO)C(=O)NCC4=CC=C(C=C4)Cl

InChI

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