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

Systemtic Name: 4-[(2-fluoranyl-4-methyl-phenyl)amino]-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxy-cinnoline-3-carboxamide Openeye Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxy-cinnoline-3-carboxamide CAS Name: 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)-1-piperazinyl]-7-methoxy-3-cinnolinecarboxamide IUPAC Name: 4-(2-fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide Traditional Name: 4-(2-fluoro-4-methyl-anilino)-6-[4-(2-hydroxyethyl)piperazino]-7-methoxy-cinnoline-3-carboxamide Formula: C23H27FN6O3 MolecularWeight: 454.497283

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27FN6O3/c1-14-3-4-17(16(24)11-14)26-21-15-12-19(30-7-5-29(6-8-30)9-10-31)20(33-2)13-18(15)27-28-22(21)23(25)32/h3-4,11-13,31H,5-10H2,1-2H3,(H2,25,32)(H,26,27)