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

Systemtic Name: 3-(3-bromanyl-4-methoxy-phenyl)-N-[3-chloranyl-4-(3-oxidanylidenepiperazin-1-yl)phenyl]propanamide Openeye Name: 3-(3-bromo-4-methoxy-phenyl)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]propanamide CAS Name: 3-(3-bromo-4-methoxyphenyl)-N-[3-chloro-4-(3-oxo-1-piperazinyl)phenyl]propanamide IUPAC Name: 3-(3-bromo-4-methoxyphenyl)-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]propanamide Traditional Name: 3-(3-bromo-4-methoxy-phenyl)-N-[3-chloro-4-(3-ketopiperazino)phenyl]propionamide Formula: C20H21BrClN3O3 MolecularWeight: 466.75604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CCC(=O)NC2=CC(=C(C=C2)N3CCNC(=O)C3)Cl)Br

InChI

InChI=1S/C20H21BrClN3O3/c1-28-18-6-2-13(10-15(18)21)3-7-19(26)24-14-4-5-17(16(22)11-14)25-9-8-23-20(27)12-25/h2,4-6,10-11H,3,7-9,12H2,1H3,(H,23,27)(H,24,26)