1-[5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)pyrazol-3-yl]-1,4-diazepan-2-one

Systemtic Name: 1-[5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)pyrazol-3-yl]-1,4-diazepan-2-one Openeye Name: 1-[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridyl)pyrazol-3-yl]-1,4-diazepan-2-one CAS Name: 1-[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-pyrazolyl]-1,4-diazepan-2-one IUPAC Name: 1-[5-(4-fluorophenyl)-1-(6-methoxypyridin-3-yl)pyrazol-3-yl]-1,4-diazepan-2-one Traditional Name: 1-[5-(4-fluorophenyl)-1-(6-methoxy-3-pyridyl)pyrazol-3-yl]-1,4-diazepan-2-one Formula: C20H20FN5O2 MolecularWeight: 381.403503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=C(C=C1)N2C(=CC(=N2)N3CCCNCC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=NC=C(C=C1)N2C(=CC(=N2)N3CCCNCC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H20FN5O2/c1-28-19-8-7-16(12-23-19)26-17(14-3-5-15(21)6-4-14)11-18(24-26)25-10-2-9-22-13-20(25)27/h3-8,11-12,22H,2,9-10,13H2,1H3