N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2,3-bis(chloranyl)benzamide

Systemtic Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2,3-bis(chloranyl)benzamide Openeye Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2,3-dichloro-benzamide CAS Name: 2,3-dichloro-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2,3-dichlorobenzamide Traditional Name: N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2,3-dichloro-benzamide Formula: C21H22Cl3N3O2 MolecularWeight: 454.77728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22Cl3N3O2/c1-2-4-19(28)27-11-9-26(10-12-27)18-8-7-14(13-17(18)23)25-21(29)15-5-3-6-16(22)20(15)24/h3,5-8,13H,2,4,9-12H2,1H3,(H,25,29)