1-[4-(2-azanylethanoyl)piperazin-1-yl]-3-(2-bromanyl-4-methyl-phenoxy)propan-1-one

Systemtic Name: 1-[4-(2-azanylethanoyl)piperazin-1-yl]-3-(2-bromanyl-4-methyl-phenoxy)propan-1-one Openeye Name: 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-(2-bromo-4-methyl-phenoxy)propan-1-one CAS Name: 1-[4-(2-amino-1-oxoethyl)-1-piperazinyl]-3-(2-bromo-4-methylphenoxy)-1-propanone IUPAC Name: 1-[4-(2-aminoacetyl)piperazin-1-yl]-3-(2-bromo-4-methylphenoxy)propan-1-one Traditional Name: 3-(2-bromo-4-methyl-phenoxy)-1-(4-glycylpiperazino)propan-1-one Formula: C16H22BrN3O3 MolecularWeight: 384.26818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)CN)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCCC(=O)N2CCN(CC2)C(=O)CN)Br

InChI

InChI=1S/C16H22BrN3O3/c1-12-2-3-14(13(17)10-12)23-9-4-15(21)19-5-7-20(8-6-19)16(22)11-18/h2-3,10H,4-9,11,18H2,1H3