2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(4-bromanyl-2-chloranyl-phenyl)ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(4-bromo-2-chloro-phenyl)acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(4-bromo-2-chlorophenyl)acetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(4-bromo-2-chlorophenyl)acetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(4-bromo-2-chloro-phenyl)acetamide Formula: C20H28BrClN4O2 MolecularWeight: 471.81892

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C20H28BrClN4O2/c21-16-5-6-18(17(22)13-16)23-19(27)14-24-9-11-25(12-10-24)15-20(28)26-7-3-1-2-4-8-26/h5-6,13H,1-4,7-12,14-15H2,(H,23,27)