N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanoylamino]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]ethanoylamino]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]acetyl]amino]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[[1-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]ethyl]amino]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[[2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]acetyl]amino]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[[2-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]acetyl]amino]acetamide Formula: C21H30BrN5O3 MolecularWeight: 480.3986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2CCN(CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C21H30BrN5O3/c1-16-12-17(22)4-5-18(16)24-19(28)13-23-20(29)14-25-8-10-26(11-9-25)15-21(30)27-6-2-3-7-27/h4-5,12H,2-3,6-11,13-15H2,1H3,(H,23,29)(H,24,28)