N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-(4-cyclohexylphenoxy)ethanamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-(4-cyclohexylphenoxy)ethanamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-(4-cyclohexylphenoxy)acetamide CAS Name: N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-(4-cyclohexylphenoxy)acetamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-cyclohexylphenoxy)acetamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-(4-cyclohexylphenoxy)acetamide Formula: C28H36ClN3O3 MolecularWeight: 498.05674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)C4CCCCC4)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)COC3=CC=C(C=C3)C4CCCCC4)Cl

InChI

InChI=1S/C28H36ClN3O3/c1-2-6-28(34)32-17-15-31(16-18-32)26-14-11-23(19-25(26)29)30-27(33)20-35-24-12-9-22(10-13-24)21-7-4-3-5-8-21/h9-14,19,21H,2-8,15-18,20H2,1H3,(H,30,33)