(2R)-2-azanyl-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-pentan-1-one

Systemtic Name: (2R)-2-azanyl-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-pentan-1-one Openeye Name: (2R)-2-amino-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methyl-pentan-1-one CAS Name: (2R)-2-amino-4-methyl-1-[4-[3-[4-(1-oxohexyl)phenoxy]propyl]-1-piperazinyl]-1-pentanone IUPAC Name: (2R)-2-amino-1-[4-[3-(4-hexanoylphenoxy)propyl]piperazin-1-yl]-4-methylpentan-1-one Traditional Name: (2R)-2-amino-1-[4-[3-(4-caproylphenoxy)propyl]piperazino]-4-methyl-pentan-1-one Formula: C25H41N3O3 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)C(CC(C)C)N

Isomeric SMILES

CCCCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C(=O)[C@@H](CC(C)C)N

InChI

InChI=1S/C25H41N3O3/c1-4-5-6-8-24(29)21-9-11-22(12-10-21)31-18-7-13-27-14-16-28(17-15-27)25(30)23(26)19-20(2)3/h9-12,20,23H,4-8,13-19,26H2,1-3H3/t23-/m1/s1