3-bromanyl-4-ethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[4-(4-isovalerylpiperazino)phenyl]benzamide Formula: C24H30BrN3O3 MolecularWeight: 488.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)CC(C)C)Br

InChI

InChI=1S/C24H30BrN3O3/c1-4-31-22-10-5-18(16-21(22)25)24(30)26-19-6-8-20(9-7-19)27-11-13-28(14-12-27)23(29)15-17(2)3/h5-10,16-17H,4,11-15H2,1-3H3,(H,26,30)