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

Systemtic Name: 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Openeye Name: 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one CAS Name: 1-[[1-(4-fluorophenyl)-4-pyrazolyl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one IUPAC Name: 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Traditional Name: 1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-(2-phenoxyethyl)-1,4-diazepan-5-one Formula: C23H25FN4O2 MolecularWeight: 408.468603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CCOC2=CC=CC=C2)CC3=CN(N=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN(C1=O)CCOC2=CC=CC=C2)CC3=CN(N=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O2/c24-20-6-8-21(9-7-20)28-18-19(16-25-28)17-26-11-10-23(29)27(13-12-26)14-15-30-22-4-2-1-3-5-22/h1-9,16,18H,10-15,17H2