N-(4-bromanyl-3-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide hydrochloride

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propanamide hydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methyl-phenyl)propanamide hydrochloride CAS Name: N-(4-bromo-3-methylphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propanamide hydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-N-(4-bromo-3-methylphenyl)propanamide hydrochloride Traditional Name: 3-(4-benzylpiperazino)-N-(4-bromo-3-methyl-phenyl)propionamide hydrochloride Formula: C21H27BrClN3O MolecularWeight: 452.81558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)Br.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCN2CCN(CC2)CC3=CC=CC=C3)Br.Cl

InChI

InChI=1S/C21H26BrN3O.ClH/c1-17-15-19(7-8-20(17)22)23-21(26)9-10-24-11-13-25(14-12-24)16-18-5-3-2-4-6-18;/h2-8,15H,9-14,16H2,1H3,(H,23,26);1H