N-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxidanylidene-ethyl]pyrazine-2-carboxamide

Systemtic Name: N-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxidanylidene-ethyl]pyrazine-2-carboxamide Openeye Name: N-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxo-ethyl]pyrazine-2-carboxamide CAS Name: N-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]-2-pyrazinecarboxamide IUPAC Name: N-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-oxoethyl]pyrazine-2-carboxamide Traditional Name: N-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-(cyclohexylamino)-2-keto-ethyl]pyrazinamide Formula: C27H28ClN5O3 MolecularWeight: 505.99592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)N(C(C2=CC=C(C=C2)Cl)C(=O)NC3CCCCC3)C(=O)C4=NC=CN=C4

InChI

InChI=1S/C27H28ClN5O3/c1-18(34)31-22-11-13-23(14-12-22)33(27(36)24-17-29-15-16-30-24)25(19-7-9-20(28)10-8-19)26(35)32-21-5-3-2-4-6-21/h7-17,21,25H,2-6H2,1H3,(H,31,34)(H,32,35)