3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-2-one

Systemtic Name: 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(azepan-1-yl)-2-oxo-ethyl]-4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-2-one CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-4-[(2-chloro-4-fluorophenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(azepan-1-yl)-2-oxoethyl]-4-[(2-chloro-4-fluorophenyl)methyl]piperazin-2-one Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-(2-chloro-4-fluoro-benzyl)piperazin-2-one Formula: C19H25ClFN3O2 MolecularWeight: 381.872103

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2C(=O)NCCN2CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C19H25ClFN3O2/c20-16-11-15(21)6-5-14(16)13-24-10-7-22-19(26)17(24)12-18(25)23-8-3-1-2-4-9-23/h5-6,11,17H,1-4,7-10,12-13H2,(H,22,26)