3-[[4-[(5-cyano-2-fluoranyl-phenyl)methyl]-1,4-diazepan-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile

Systemtic Name: 3-[[4-[(5-cyano-2-fluoranyl-phenyl)methyl]-1,4-diazepan-1-yl]methyl]-4-fluoranyl-benzenecarbonitrile Openeye Name: 3-[[4-[(5-cyano-2-fluoro-phenyl)methyl]-1,4-diazepan-1-yl]methyl]-4-fluoro-benzonitrile CAS Name: 3-[[4-[(5-cyano-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-4-fluorobenzonitrile IUPAC Name: 3-[[4-[(5-cyano-2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-4-fluorobenzonitrile Traditional Name: 3-[[4-(5-cyano-2-fluoro-benzyl)-1,4-diazepan-1-yl]methyl]-4-fluoro-benzonitrile Formula: C21H20F2N4 MolecularWeight: 366.407106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N4/c22-20-4-2-16(12-24)10-18(20)14-26-6-1-7-27(9-8-26)15-19-11-17(13-25)3-5-21(19)23/h2-5,10-11H,1,6-9,14-15H2