1-[1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-[[3-(2-fluorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-[[3-(2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-[[3-(2-fluorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-piperidyl]-1,4-diazepan-5-one Formula: C21H28FN5O MolecularWeight: 385.478323

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2F)CN3CCC(CC3)N4CCC(=O)NCC4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2F)CN3CCC(CC3)N4CCC(=O)NCC4

InChI

InChI=1S/C21H28FN5O/c1-25-14-16(21(24-25)18-4-2-3-5-19(18)22)15-26-10-6-17(7-11-26)27-12-8-20(28)23-9-13-27/h2-5,14,17H,6-13,15H2,1H3,(H,23,28)