1-[1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[1-[[5-(3-fluoranyl-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one Openeye Name: 1-[1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-4-piperidyl]-1,4-diazepan-5-one CAS Name: 1-[1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-piperidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-1,4-diazepan-5-one Traditional Name: 1-[1-[[5-(3-fluoro-4-methoxy-phenyl)-1H-pyrazol-4-yl]methyl]-4-piperidyl]-1,4-diazepan-5-one Formula: C21H28FN5O2 MolecularWeight: 401.477723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)N4CCC(=O)NCC4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(C=NN2)CN3CCC(CC3)N4CCC(=O)NCC4)F

InChI

InChI=1S/C21H28FN5O2/c1-29-19-3-2-15(12-18(19)22)21-16(13-24-25-21)14-26-8-4-17(5-9-26)27-10-6-20(28)23-7-11-27/h2-3,12-13,17H,4-11,14H2,1H3,(H,23,28)(H,24,25)