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

Systemtic Name: 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one Openeye Name: 1-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one CAS Name: 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)-4-pyrazolyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-[[3-(4-fluorophenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[[3-(4-fluorophenyl)-1-(p-tolyl)pyrazol-4-yl]methyl]-1,4-diazepan-5-one Formula: C22H23FN4O MolecularWeight: 378.442623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CN4CCC(=O)NCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)CN4CCC(=O)NCC4

InChI

InChI=1S/C22H23FN4O/c1-16-2-8-20(9-3-16)27-15-18(14-26-12-10-21(28)24-11-13-26)22(25-27)17-4-6-19(23)7-5-17/h2-9,15H,10-14H2,1H3,(H,24,28)