N-(2-bromanyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide hydrochloride

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide hydrochloride Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methyl-phenyl)acetamide hydrochloride CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazinyl]acetamide hydrochloride IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-(2-bromo-4-methylphenyl)acetamide hydrochloride Traditional Name: 2-(4-benzylpiperazino)-N-(2-bromo-4-methyl-phenyl)acetamide hydrochloride Formula: C20H25BrClN3O MolecularWeight: 438.789

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Br.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3)Br.Cl

InChI

InChI=1S/C20H24BrN3O.ClH/c1-16-7-8-19(18(21)13-16)22-20(25)15-24-11-9-23(10-12-24)14-17-5-3-2-4-6-17;/h2-8,13H,9-12,14-15H2,1H3,(H,22,25);1H