4-[(1-adamantylamino)methyl]-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[(1-adamantylamino)methyl]-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[(1-adamantylamino)methyl]-3-fluoro-benzonitrile CAS Name: 4-[(1-adamantylamino)methyl]-3-fluorobenzonitrile IUPAC Name: 4-[(1-adamantylamino)methyl]-3-fluorobenzonitrile Traditional Name: 4-[(1-adamantylamino)methyl]-3-fluoro-benzonitrile Formula: C18H21FN2 MolecularWeight: 284.371143

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C18H21FN2/c19-17-6-12(10-20)1-2-16(17)11-21-18-7-13-3-14(8-18)5-15(4-13)9-18/h1-2,6,13-15,21H,3-5,7-9,11H2