N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(4-ethanoylphenoxy)propanamide

Systemtic Name: N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]-3-(4-ethanoylphenoxy)propanamide Openeye Name: 3-(4-acetylphenoxy)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]propanamide CAS Name: 3-(4-acetylphenoxy)-N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-(4-acetylphenoxy)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]propanamide Traditional Name: 3-(4-acetylphenoxy)-N-[3-chloro-4-(3-ketopiperazino)phenyl]propionamide Formula: C21H22ClN3O4 MolecularWeight: 415.87008

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl

InChI

InChI=1S/C21H22ClN3O4/c1-14(26)15-2-5-17(6-3-15)29-11-8-20(27)24-16-4-7-19(18(22)12-16)25-10-9-23-21(28)13-25/h2-7,12H,8-11,13H2,1H3,(H,23,28)(H,24,27)