2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(5-bromanylpyridin-3-yl)carbonylamino]carbamate

Systemtic Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(5-bromanylpyridin-3-yl)carbonylamino]carbamate Openeye Name: 2-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(5-bromopyridine-3-carbonyl)amino]carbamate CAS Name: N-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]carbamic acid 2-[4-(2-benzofuranylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl N-[(5-bromopyridine-3-carbonyl)amino]carbamate Traditional Name: N-[(5-bromonicotinoyl)amino]carbamic acid 2-[4-(benzofuran-2-ylmethyl)piperazino]ethyl ester Formula: C22H24BrN5O4 MolecularWeight: 502.36106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)NNC(=O)C2=CC(=CN=C2)Br)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CCOC(=O)NNC(=O)C2=CC(=CN=C2)Br)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H24BrN5O4/c23-18-11-17(13-24-14-18)21(29)25-26-22(30)31-10-9-27-5-7-28(8-6-27)15-19-12-16-3-1-2-4-20(16)32-19/h1-4,11-14H,5-10,15H2,(H,25,29)(H,26,30)