methyl 3-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate

Systemtic Name: methyl 3-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 3-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]-(pyrazine-2-carbonyl)amino]benzoate CAS Name: 3-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate Traditional Name: 3-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-pyrazinoyl-amino]benzoic acid methyl ester Formula: C27H27FN4O4 MolecularWeight: 490.526083

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)N(C(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)N(C(C2=CC=C(C=C2)F)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C27H27FN4O4/c1-36-27(35)19-6-5-9-22(16-19)32(26(34)23-17-29-14-15-30-23)24(18-10-12-20(28)13-11-18)25(33)31-21-7-3-2-4-8-21/h5-6,9-17,21,24H,2-4,7-8H2,1H3,(H,31,33)