N-[(4-chlorophenyl)methyl]-1-morpholin-4-yl-6-(oxan-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-1-morpholin-4-yl-6-(oxan-4-ylmethyl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-1-morpholino-4-oxo-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-1-(4-morpholinyl)-6-(4-oxanylmethyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-1-morpholin-4-yl-6-(oxan-4-ylmethyl)-4-oxoquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-morpholino-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide Formula: C27H30ClN3O4 MolecularWeight: 495.9978

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)N5CCOCC5

Isomeric SMILES

C1COCCC1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)N5CCOCC5

InChI

InChI=1S/C27H30ClN3O4/c28-22-4-1-20(2-5-22)17-29-27(33)24-18-31(30-9-13-35-14-10-30)25-6-3-21(16-23(25)26(24)32)15-19-7-11-34-12-8-19/h1-6,16,18-19H,7-15,17H2,(H,29,33)