3-[[4-[(4-fluorophenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxidanylidene-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-[(4-fluorophenyl)methyl]-5-oxo-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(4-fluorobenzyl)-5-keto-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C20H20FN3O MolecularWeight: 337.390703

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1=O)CC2=CC=C(C=C2)F)CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN(C1=O)CC2=CC=C(C=C2)F)CC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H20FN3O/c21-19-6-4-16(5-7-19)15-24-11-10-23(9-8-20(24)25)14-18-3-1-2-17(12-18)13-22/h1-7,12H,8-11,14-15H2