4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-[4-(2-hydroxyethyl)piperazin-1-yl]cinnoline-3-carboxamide

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-[4-(2-hydroxyethyl)piperazin-1-yl]cinnoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-7-[4-(2-hydroxyethyl)piperazin-1-yl]cinnoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-7-[4-(2-hydroxyethyl)-1-piperazinyl]-3-cinnolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-7-[4-(2-hydroxyethyl)piperazin-1-yl]cinnoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-7-[4-(2-hydroxyethyl)piperazino]cinnoline-3-carboxamide Formula: C22H25FN6O2 MolecularWeight: 424.471303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=C(N=NC3=C2C=CC(=C3)N4CCN(CC4)CCO)C(=O)N)F

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=C(N=NC3=C2C=CC(=C3)N4CCN(CC4)CCO)C(=O)N)F

InChI

InChI=1S/C22H25FN6O2/c1-14-2-5-18(17(23)12-14)25-20-16-4-3-15(13-19(16)26-27-21(20)22(24)31)29-8-6-28(7-9-29)10-11-30/h2-5,12-13,30H,6-11H2,1H3,(H2,24,31)(H,25,26)