3-bromanyl-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-4-methoxy-benzamide Formula: C22H25BrClN3O3 MolecularWeight: 494.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrClN3O3/c1-3-4-21(28)27-11-9-26(10-12-27)19-7-6-16(14-18(19)24)25-22(29)15-5-8-20(30-2)17(23)13-15/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,25,29)