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

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-methoxy-6-[4-(2-methyl-2-oxidanyl-propanoyl)piperazin-1-yl]cinnoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-(2-hydroxy-2-methyl-propanoyl)piperazin-1-yl]-7-methoxy-cinnoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxy-2-methyl-1-oxopropyl)-1-piperazinyl]-7-methoxy-3-cinnolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-(2-hydroxy-2-methyl-propanoyl)piperazino]-7-methoxy-cinnoline-3-carboxamide Formula: C25H29FN6O4 MolecularWeight: 496.533963

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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)(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(C)(C)O)OC)C(=O)N)F

InChI

InChI=1S/C25H29FN6O4/c1-14-5-6-17(16(26)11-14)28-21-15-12-19(20(36-4)13-18(15)29-30-22(21)23(27)33)31-7-9-32(10-8-31)24(34)25(2,3)35/h5-6,11-13,35H,7-10H2,1-4H3,(H2,27,33)(H,28,29)