3-bromanyl-N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[5-chloranyl-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[5-chloro-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[5-chloro-2-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[5-chloro-2-(4-isovalerylpiperazino)phenyl]-4-ethoxy-benzamide Formula: C24H29BrClN3O3 MolecularWeight: 522.86236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29BrClN3O3/c1-4-32-22-8-5-17(14-19(22)25)24(31)27-20-15-18(26)6-7-21(20)28-9-11-29(12-10-28)23(30)13-16(2)3/h5-8,14-16H,4,9-13H2,1-3H3,(H,27,31)