4-[[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[3-(3-fluorophenyl)-1-oxopropyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[3-(3-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C22H24FN3O MolecularWeight: 365.443863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CCC2=CC(=CC=C2)F)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CCC2=CC(=CC=C2)F)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24FN3O/c23-21-4-1-3-18(15-21)9-10-22(27)26-12-2-11-25(13-14-26)17-20-7-5-19(16-24)6-8-20/h1,3-8,15H,2,9-14,17H2