5-bromanyl-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[4-(4-butanoylpiperazin-1-yl)-3-chloranyl-phenyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chloro-phenyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[3-chloro-4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[4-(4-butyrylpiperazino)-3-chloro-phenyl]-2-methoxy-3-methyl-benzamide Formula: C23H27BrClN3O3 MolecularWeight: 508.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3OC)C)Br)Cl

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3OC)C)Br)Cl

InChI

InChI=1S/C23H27BrClN3O3/c1-4-5-21(29)28-10-8-27(9-11-28)20-7-6-17(14-19(20)25)26-23(30)18-13-16(24)12-15(2)22(18)31-3/h6-7,12-14H,4-5,8-11H2,1-3H3,(H,26,30)