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

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(4-ethanoylphenyl)piperazin-1-yl]propanamide Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-bromo-2-methyl-phenyl)propanamide CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-N-(4-bromo-2-methylphenyl)propanamide IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-bromo-2-methylphenyl)propanamide Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-N-(4-bromo-2-methyl-phenyl)propionamide Formula: C22H26BrN3O2 MolecularWeight: 444.36474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)C(C)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C22H26BrN3O2/c1-15-14-19(23)6-9-21(15)24-22(28)16(2)25-10-12-26(13-11-25)20-7-4-18(5-8-20)17(3)27/h4-9,14,16H,10-13H2,1-3H3,(H,24,28)