1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepan-5-one

Systemtic Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepan-5-one Openeye Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepan-5-one CAS Name: 1-[4-[1-(4-fluorophenyl)-4-pyrazolyl]-2-pyrimidinyl]-1,4-diazepan-5-one IUPAC Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepan-5-one Traditional Name: 1-[4-[1-(4-fluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-1,4-diazepan-5-one Formula: C18H17FN6O MolecularWeight: 352.365583

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNC1=O)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCNC1=O)C2=NC=CC(=N2)C3=CN(N=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H17FN6O/c19-14-1-3-15(4-2-14)25-12-13(11-22-25)16-5-7-21-18(23-16)24-9-6-17(26)20-8-10-24/h1-5,7,11-12H,6,8-10H2,(H,20,26)