N-(2-bromanyl-4-methyl-phenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]propanamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-yl]propanamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-(4-isovalerylpiperazino)propionamide Formula: C19H28BrN3O2 MolecularWeight: 410.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)C(=O)CC(C)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(C)N2CCN(CC2)C(=O)CC(C)C)Br

InChI

InChI=1S/C19H28BrN3O2/c1-13(2)11-18(24)23-9-7-22(8-10-23)15(4)19(25)21-17-6-5-14(3)12-16(17)20/h5-6,12-13,15H,7-11H2,1-4H3,(H,21,25)