N-[3-(1H-benzimidazol-2-yl)-5-fluoranyl-1-(octan-3-ylamino)-2-oxidanylidene-quinolin-6-yl]benzamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)-5-fluoranyl-1-(octan-3-ylamino)-2-oxidanylidene-quinolin-6-yl]benzamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-5-fluoro-2-oxo-6-quinolyl]benzamide CAS Name: N-[3-(1H-benzimidazol-2-yl)-5-fluoro-1-(octan-3-ylamino)-2-oxo-6-quinolinyl]benzamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)-5-fluoro-1-(octan-3-ylamino)-2-oxoquinolin-6-yl]benzamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)-1-(1-ethylhexylamino)-5-fluoro-2-keto-6-quinolyl]benzamide Formula: C31H32FN5O2 MolecularWeight: 525.616483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)NN1C2=C(C=C(C1=O)C3=NC4=CC=CC=C4N3)C(=C(C=C2)NC(=O)C5=CC=CC=C5)F

Isomeric SMILES

CCCCCC(CC)NN1C2=C(C=C(C1=O)C3=NC4=CC=CC=C4N3)C(=C(C=C2)NC(=O)C5=CC=CC=C5)F

InChI

InChI=1S/C31H32FN5O2/c1-3-5-7-14-21(4-2)36-37-27-18-17-26(35-30(38)20-12-8-6-9-13-20)28(32)22(27)19-23(31(37)39)29-33-24-15-10-11-16-25(24)34-29/h6,8-13,15-19,21,36H,3-5,7,14H2,1-2H3,(H,33,34)(H,35,38)