1-(azepan-1-yl)-2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(2-bromanyl-5-methoxy-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(2-bromo-5-methoxy-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(2-bromo-5-methoxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(2-bromo-5-methoxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2-bromo-5-methoxy-benzoyl)piperazino]ethanone Formula: C20H28BrN3O3 MolecularWeight: 438.35862

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H28BrN3O3/c1-27-16-6-7-18(21)17(14-16)20(26)24-12-10-22(11-13-24)15-19(25)23-8-4-2-3-5-9-23/h6-7,14H,2-5,8-13,15H2,1H3