2-chloranyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide

Systemtic Name: 2-chloranyl-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide Openeye Name: 2-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide CAS Name: 2-chloro-N-[4-[4-(1-oxooctyl)-1-piperazinyl]phenyl]propanamide IUPAC Name: 2-chloro-N-[4-(4-octanoylpiperazin-1-yl)phenyl]propanamide Traditional Name: N-[4-(4-caprylylpiperazino)phenyl]-2-chloro-propionamide Formula: C21H32ClN3O2 MolecularWeight: 393.95068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C)Cl

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)C(C)Cl

InChI

InChI=1S/C21H32ClN3O2/c1-3-4-5-6-7-8-20(26)25-15-13-24(14-16-25)19-11-9-18(10-12-19)23-21(27)17(2)22/h9-12,17H,3-8,13-16H2,1-2H3,(H,23,27)