N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-N-phenethyl-pyrazine-2-carboxamide

Systemtic Name: N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-N-phenethyl-pyrazine-2-carboxamide Openeye Name: N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxo-ethyl]-N-phenethyl-pyrazine-2-carboxamide CAS Name: N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenethyl-2-pyrazinecarboxamide IUPAC Name: N-[2-(cyclohexylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-phenethylpyrazine-2-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-(4-methoxyphenyl)ethyl]-N-phenethyl-pyrazinamide Formula: C28H32N4O3 MolecularWeight: 472.57868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CCC3=CC=CC=C3)C(=O)C4=NC=CN=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(CCC3=CC=CC=C3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C28H32N4O3/c1-35-24-14-12-22(13-15-24)26(27(33)31-23-10-6-3-7-11-23)32(19-16-21-8-4-2-5-9-21)28(34)25-20-29-17-18-30-25/h2,4-5,8-9,12-15,17-18,20,23,26H,3,6-7,10-11,16,19H2,1H3,(H,31,33)