N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-ethyl-6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxamide CAS Name: N-[4-(1-adamantyl)-2-thiazolyl]-1-ethyl-6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxamide IUPAC Name: N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxamide Traditional Name: N-[4-(1-adamantyl)thiazol-2-yl]-1-ethyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxamide Formula: C30H36FN5O2S MolecularWeight: 549.702543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)NC4=NC(=CS4)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C30H36FN5O2S/c1-3-35-16-22(27(37)21-11-23(31)25(12-24(21)35)36-6-4-34(2)5-7-36)28(38)33-29-32-26(17-39-29)30-13-18-8-19(14-30)10-20(9-18)15-30/h11-12,16-20H,3-10,13-15H2,1-2H3,(H,32,33,38)