3-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-methyl-piperazin-2-one

Systemtic Name: 3-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxidanylidene-ethyl]-4-methyl-piperazin-2-one Openeye Name: 3-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxo-ethyl]-4-methyl-piperazin-2-one CAS Name: 3-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-4-methyl-2-piperazinone IUPAC Name: 3-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]-4-methylpiperazin-2-one Traditional Name: 3-[2-[4-(4-fluorobenzyl)-1,4-diazepan-1-yl]-2-keto-ethyl]-4-methyl-piperazin-2-one Formula: C19H27FN4O2 MolecularWeight: 362.441683

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCNC(=O)C1CC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CN1CCNC(=O)C1CC(=O)N2CCCN(CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C19H27FN4O2/c1-22-10-7-21-19(26)17(22)13-18(25)24-9-2-8-23(11-12-24)14-15-3-5-16(20)6-4-15/h3-6,17H,2,7-14H2,1H3,(H,21,26)