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

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-(4-tert-butylphenoxy)ethanamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-(4-tert-butylphenoxy)acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-(4-tert-butylphenoxy)acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]acetamide Formula: C26H34ClN3O3 MolecularWeight: 472.01946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34ClN3O3/c1-5-6-25(32)30-15-13-29(14-16-30)23-12-9-20(17-22(23)27)28-24(31)18-33-21-10-7-19(8-11-21)26(2,3)4/h7-12,17H,5-6,13-16,18H2,1-4H3,(H,28,31)