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

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-methyl-6-(morpholin-4-ylmethyl)-4-oxidanylidene-8-(3-oxidanylprop-1-ynyl)quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-6-(morpholinomethyl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-6-(4-morpholinylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-8-(3-hydroxyprop-1-ynyl)-1-methyl-6-(morpholin-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-8-(3-hydroxyprop-1-ynyl)-4-keto-1-methyl-6-(morpholinomethyl)quinoline-3-carboxamide Formula: C26H26ClN3O4 MolecularWeight: 479.95534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O4/c1-29-17-23(26(33)28-15-18-4-6-21(27)7-5-18)25(32)22-14-19(16-30-8-11-34-12-9-30)13-20(24(22)29)3-2-10-31/h4-7,13-14,17,31H,8-12,15-16H2,1H3,(H,28,33)