N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-1-(4-oxidanylbut-2-ynyl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(morpholin-4-ylmethyl)-1-(4-oxidanylbut-2-ynyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-(4-hydroxybut-2-ynyl)-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(4-hydroxybut-2-ynyl)-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-(4-hydroxybut-2-ynyl)-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-1-(4-hydroxybut-2-ynyl)-4-keto-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C26H26ClN3O4 MolecularWeight: 479.95534

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CC#CCO

Isomeric SMILES

C1COCCN1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)CC#CCO

InChI

InChI=1S/C26H26ClN3O4/c27-21-6-3-19(4-7-21)16-28-26(33)23-18-30(9-1-2-12-31)24-8-5-20(15-22(24)25(23)32)17-29-10-13-34-14-11-29/h3-8,15,18,31H,9-14,16-17H2,(H,28,33)