4-bromanyl-N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide

Systemtic Name: 4-bromanyl-N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide Openeye Name: 4-bromo-N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide CAS Name: 4-bromo-N-[4-butoxy-3-(4-methyl-1-piperazinyl)phenyl]benzamide IUPAC Name: 4-bromo-N-[4-butoxy-3-(4-methylpiperazin-1-yl)phenyl]benzamide Traditional Name: 4-bromo-N-[4-butoxy-3-(4-methylpiperazino)phenyl]benzamide Formula: C22H28BrN3O2 MolecularWeight: 446.38062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)Br)N3CCN(CC3)C

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)Br)N3CCN(CC3)C

InChI

InChI=1S/C22H28BrN3O2/c1-3-4-15-28-21-10-9-19(16-20(21)26-13-11-25(2)12-14-26)24-22(27)17-5-7-18(23)8-6-17/h5-10,16H,3-4,11-15H2,1-2H3,(H,24,27)