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

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxidanylidene-1-phenyl-quinoline-3-carboxamide Openeye Name: N-[(4-chlorophenyl)methyl]-4-oxo-1-phenyl-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-6-(4-oxanylmethyl)-4-oxo-1-phenyl-3-quinolinecarboxamide IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(oxan-4-ylmethyl)-4-oxo-1-phenylquinoline-3-carboxamide Traditional Name: N-(4-chlorobenzyl)-4-keto-1-phenyl-6-(tetrahydropyran-4-ylmethyl)quinoline-3-carboxamide Formula: C29H27ClN2O3 MolecularWeight: 486.98928

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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)C5=CC=CC=C5

Isomeric SMILES

C1COCCC1CC2=CC3=C(C=C2)N(C=C(C3=O)C(=O)NCC4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C29H27ClN2O3/c30-23-9-6-21(7-10-23)18-31-29(34)26-19-32(24-4-2-1-3-5-24)27-11-8-22(17-25(27)28(26)33)16-20-12-14-35-15-13-20/h1-11,17,19-20H,12-16,18H2,(H,31,34)