N-[(4-chlorophenyl)methyl]-8-fluoranyl-5-(methylamino)-4-oxidanylidene-6-(phenylmethyl)-2-propyl-1H-quinoline-3-carboxamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-8-fluoranyl-5-(methylamino)-4-oxidanylidene-6-(phenylmethyl)-2-propyl-1H-quinoline-3-carboxamide Openeye Name: 6-benzyl-N-[(4-chlorophenyl)methyl]-8-fluoro-5-(methylamino)-4-oxo-2-propyl-1H-quinoline-3-carboxamide CAS Name: N-[(4-chlorophenyl)methyl]-8-fluoro-5-(methylamino)-4-oxo-6-(phenylmethyl)-2-propyl-1H-quinoline-3-carboxamide IUPAC Name: 6-benzyl-N-[(4-chlorophenyl)methyl]-8-fluoro-5-(methylamino)-4-oxo-2-propyl-1H-quinoline-3-carboxamide Traditional Name: 6-benzyl-N-(4-chlorobenzyl)-8-fluoro-4-keto-5-(methylamino)-2-propyl-1H-quinoline-3-carboxamide Formula: C28H27ClFN3O2 MolecularWeight: 491.984283

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C2=C(C(=CC(=C2N1)F)CC3=CC=CC=C3)NC)C(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC1=C(C(=O)C2=C(C(=CC(=C2N1)F)CC3=CC=CC=C3)NC)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H27ClFN3O2/c1-3-7-22-23(28(35)32-16-18-10-12-20(29)13-11-18)27(34)24-25(31-2)19(15-21(30)26(24)33-22)14-17-8-5-4-6-9-17/h4-6,8-13,15,31H,3,7,14,16H2,1-2H3,(H,32,35)(H,33,34)