N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide

Systemtic Name: N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxidanylidene-ethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide Openeye Name: N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxo-ethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide CAS Name: N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-fluorophenyl)-2-pyrazinecarboxamide IUPAC Name: N-[2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(3-fluorophenyl)pyrazine-2-carboxamide Traditional Name: N-[2-(cyclohexylamino)-2-keto-1-p-phenetyl-ethyl]-N-(3-fluorophenyl)pyrazinamide Formula: C27H29FN4O3 MolecularWeight: 476.542563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)C4=NC=CN=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C27H29FN4O3/c1-2-35-23-13-11-19(12-14-23)25(26(33)31-21-8-4-3-5-9-21)32(22-10-6-7-20(28)17-22)27(34)24-18-29-15-16-30-24/h6-7,10-18,21,25H,2-5,8-9H2,1H3,(H,31,33)