1-(azepan-1-yl)-2-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-(5-chloranyl-2-oxidanyl-phenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-(5-chloro-2-hydroxy-benzoyl)piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(5-chloro-2-hydroxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-(5-chloro-2-hydroxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(5-chloro-2-hydroxy-benzoyl)piperazino]ethanone Formula: C19H26ClN3O3 MolecularWeight: 379.88104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26ClN3O3/c20-15-5-6-17(24)16(13-15)19(26)23-11-9-21(10-12-23)14-18(25)22-7-3-1-2-4-8-22/h5-6,13,24H,1-4,7-12,14H2