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

Systemtic Name: ethyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxidanylidene-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate Openeye Name: ethyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxo-ethyl]-(pyrazine-2-carbonyl)amino]benzoate CAS Name: 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-[oxo(2-pyrazinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-(pyrazine-2-carbonyl)amino]benzoate Traditional Name: 4-[[2-(cyclohexylamino)-1-(4-fluorophenyl)-2-keto-ethyl]-pyrazinoyl-amino]benzoic acid ethyl ester Formula: C28H29FN4O4 MolecularWeight: 504.552663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29FN4O4/c1-2-37-28(36)20-10-14-23(15-11-20)33(27(35)24-18-30-16-17-31-24)25(19-8-12-21(29)13-9-19)26(34)32-22-6-4-3-5-7-22/h8-18,22,25H,2-7H2,1H3,(H,32,34)