4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-methoxy-6-[4-[(2R)-2-oxidanylpropanoyl]piperazin-1-yl]cinnoline-3-carboxamide

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-methoxy-6-[4-[(2R)-2-oxidanylpropanoyl]piperazin-1-yl]cinnoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-[(2R)-2-hydroxypropanoyl]piperazin-1-yl]-7-methoxy-cinnoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-6-[4-[(2R)-2-hydroxy-1-oxopropyl]-1-piperazinyl]-7-methoxy-3-cinnolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-6-[4-[(2R)-2-hydroxypropanoyl]piperazin-1-yl]-7-methoxycinnoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-[(2R)-2-hydroxypropanoyl]piperazino]-7-methoxy-cinnoline-3-carboxamide Formula: C24H27FN6O4 MolecularWeight: 482.507383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCN(CC4)C(=O)C(C)O)OC)C(=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(N=NC3=CC(=C(C=C32)N4CCN(CC4)C(=O)[C@@H](C)O)OC)C(=O)N)F

InChI

InChI=1S/C24H27FN6O4/c1-13-4-5-17(16(25)10-13)27-21-15-11-19(30-6-8-31(9-7-30)24(34)14(2)32)20(35-3)12-18(15)28-29-22(21)23(26)33/h4-5,10-12,14,32H,6-9H2,1-3H3,(H2,26,33)(H,27,28)/t14-/m1/s1