5-bromanyl-2-butoxy-N-[2-(4-methylpiperazin-1-yl)carbonylphenyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[2-(4-methylpiperazin-1-yl)carbonylphenyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[2-[(4-methyl-1-piperazinyl)-oxomethyl]phenyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[2-(4-methylpiperazine-1-carbonyl)phenyl]benzamide Formula: C23H28BrN3O3 MolecularWeight: 474.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C

InChI

InChI=1S/C23H28BrN3O3/c1-3-4-15-30-21-10-9-17(24)16-19(21)22(28)25-20-8-6-5-7-18(20)23(29)27-13-11-26(2)12-14-27/h5-10,16H,3-4,11-15H2,1-2H3,(H,25,28)