6-[(3S,5R)-4-ethanoyl-3,5-dimethyl-piperazin-1-yl]-4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-methoxy-cinnoline-3-carboxamide

Systemtic Name: 6-[(3S,5R)-4-ethanoyl-3,5-dimethyl-piperazin-1-yl]-4-[(2-fluoranyl-4-methyl-phenyl)amino]-7-methoxy-cinnoline-3-carboxamide Openeye Name: 6-[(3S,5R)-4-acetyl-3,5-dimethyl-piperazin-1-yl]-4-(2-fluoro-4-methyl-anilino)-7-methoxy-cinnoline-3-carboxamide CAS Name: 6-[(3S,5R)-4-acetyl-3,5-dimethyl-1-piperazinyl]-4-(2-fluoro-4-methylanilino)-7-methoxy-3-cinnolinecarboxamide IUPAC Name: 6-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-4-(2-fluoro-4-methylanilino)-7-methoxycinnoline-3-carboxamide Traditional Name: 6-[(3S,5R)-4-acetyl-3,5-dimethyl-piperazino]-4-(2-fluoro-4-methyl-anilino)-7-methoxy-cinnoline-3-carboxamide Formula: C25H29FN6O3 MolecularWeight: 480.534563

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)C)C)C2=C(C=C3C(=C2)C(=C(N=N3)C(=O)N)NC4=C(C=C(C=C4)C)F)OC

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1C(=O)C)C)C2=C(C=C3C(=C2)C(=C(N=N3)C(=O)N)NC4=C(C=C(C=C4)C)F)OC

InChI

InChI=1S/C25H29FN6O3/c1-13-6-7-19(18(26)8-13)28-23-17-9-21(31-11-14(2)32(16(4)33)15(3)12-31)22(35-5)10-20(17)29-30-24(23)25(27)34/h6-10,14-15H,11-12H2,1-5H3,(H2,27,34)(H,28,29)/t14-,15+