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

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-cyclohexylphenoxy)ethanamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-cyclohexylphenoxy)acetamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-(4-cyclohexylphenoxy)acetamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-cyclohexylphenoxy)acetamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-2-(4-cyclohexylphenoxy)acetamide Formula: C29H38ClN3O3 MolecularWeight: 512.08332

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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)C4CCCCC4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C29H38ClN3O3/c1-21(2)18-29(35)33-16-14-32(15-17-33)27-13-10-24(19-26(27)30)31-28(34)20-36-25-11-8-23(9-12-25)22-6-4-3-5-7-22/h8-13,19,21-22H,3-7,14-18,20H2,1-2H3,(H,31,34)