7-chloranyl-1-ethyl-6-fluoranyl-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxidanylidene-quinoline-3-carboxamide

Systemtic Name: 7-chloranyl-1-ethyl-6-fluoranyl-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxidanylidene-quinoline-3-carboxamide Openeye Name: 7-chloro-1-ethyl-6-fluoro-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxo-quinoline-3-carboxamide CAS Name: 7-chloro-1-ethyl-6-fluoro-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxo-3-quinolinecarboxamide IUPAC Name: 7-chloro-1-ethyl-6-fluoro-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]-4-oxoquinoline-3-carboxamide Traditional Name: 7-chloro-1-ethyl-6-fluoro-4-keto-N-[4-[4-(5-methyl-1,3-benzoxazol-2-yl)-1H-pyrazol-5-yl]phenyl]quinoline-3-carboxamide Formula: C29H21ClFN5O3 MolecularWeight: 541.960143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)NC3=CC=C(C=C3)C4=C(C=NN4)C5=NC6=C(O5)C=CC(=C6)C

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)Cl)F)C(=O)NC3=CC=C(C=C3)C4=C(C=NN4)C5=NC6=C(O5)C=CC(=C6)C

InChI

InChI=1S/C29H21ClFN5O3/c1-3-36-14-20(27(37)18-11-22(31)21(30)12-24(18)36)28(38)33-17-7-5-16(6-8-17)26-19(13-32-35-26)29-34-23-10-15(2)4-9-25(23)39-29/h4-14H,3H2,1-2H3,(H,32,35)(H,33,38)