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

Systemtic Name: methyl 3-[[2-(cyclohexylamino)-2-oxidanylidene-1-phenyl-ethyl]-pyrazin-2-ylcarbonyl-amino]benzoate Openeye Name: methyl 3-[[2-(cyclohexylamino)-2-oxo-1-phenyl-ethyl]-(pyrazine-2-carbonyl)amino]benzoate CAS Name: 3-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-[oxo(2-pyrazinyl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-(pyrazine-2-carbonyl)amino]benzoate Traditional Name: 3-[[2-(cyclohexylamino)-2-keto-1-phenyl-ethyl]-pyrazinoyl-amino]benzoic acid methyl ester Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N4O4/c1-35-27(34)20-11-8-14-22(17-20)31(26(33)23-18-28-15-16-29-23)24(19-9-4-2-5-10-19)25(32)30-21-12-6-3-7-13-21/h2,4-5,8-11,14-18,21,24H,3,6-7,12-13H2,1H3,(H,30,32)