1-(azepan-1-yl)-2-[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(3-chloranyl-4,5-dimethoxy-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(3-chloro-4,5-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4,5-dimethoxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(3-chloro-4,5-dimethoxy-benzoyl)piperazino]ethanone Formula: C21H30ClN3O4 MolecularWeight: 423.9336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)N2CCN(CC2)CC(=O)N3CCCCCC3)Cl)OC

InChI

InChI=1S/C21H30ClN3O4/c1-28-18-14-16(13-17(22)20(18)29-2)21(27)25-11-9-23(10-12-25)15-19(26)24-7-5-3-4-6-8-24/h13-14H,3-12,15H2,1-2H3