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

Systemtic Name: 3-[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-4-[(2-fluoranyl-4-methoxy-phenyl)methyl]piperazin-2-one Openeye Name: 3-[2-(azocan-1-yl)-2-oxo-ethyl]-4-[(2-fluoro-4-methoxy-phenyl)methyl]piperazin-2-one CAS Name: 3-[2-(1-azocanyl)-2-oxoethyl]-4-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperazinone IUPAC Name: 3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(2-fluoro-4-methoxyphenyl)methyl]piperazin-2-one Traditional Name: 3-[2-(azocan-1-yl)-2-keto-ethyl]-4-(2-fluoro-4-methoxy-benzyl)piperazin-2-one Formula: C21H30FN3O3 MolecularWeight: 391.479603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)N3CCCCCCC3)F

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCNC(=O)C2CC(=O)N3CCCCCCC3)F

InChI

InChI=1S/C21H30FN3O3/c1-28-17-8-7-16(18(22)13-17)15-25-12-9-23-21(27)19(25)14-20(26)24-10-5-3-2-4-6-11-24/h7-8,13,19H,2-6,9-12,14-15H2,1H3,(H,23,27)