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

Systemtic Name: 2-(4-tert-butylphenoxy)-N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: 2-(4-tert-butylphenoxy)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-(4-tert-butylphenoxy)-N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-(4-tert-butylphenoxy)-N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-(4-tert-butylphenoxy)-N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]acetamide Formula: C27H36ClN3O3 MolecularWeight: 486.04604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36ClN3O3/c1-19(2)16-26(33)31-14-12-30(13-15-31)24-11-8-21(17-23(24)28)29-25(32)18-34-22-9-6-20(7-10-22)27(3,4)5/h6-11,17,19H,12-16,18H2,1-5H3,(H,29,32)