1-(2-adamantyl)-4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-(2-adamantyl)-4-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-1,4-diazepane Openeye Name: 1-(2-adamantyl)-4-[(4-chloro-2-fluoro-phenyl)methyl]-1,4-diazepane CAS Name: 1-(2-adamantyl)-4-[(4-chloro-2-fluorophenyl)methyl]-1,4-diazepane IUPAC Name: 1-(2-adamantyl)-4-[(4-chloro-2-fluorophenyl)methyl]-1,4-diazepane Traditional Name: 1-(2-adamantyl)-4-(4-chloro-2-fluoro-benzyl)-1,4-diazepane Formula: C22H30ClFN2 MolecularWeight: 376.938403

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2C3CC4CC(C3)CC2C4)CC5=C(C=C(C=C5)Cl)F

Isomeric SMILES

C1CN(CCN(C1)C2C3CC4CC(C3)CC2C4)CC5=C(C=C(C=C5)Cl)F

InChI

InChI=1S/C22H30ClFN2/c23-20-3-2-17(21(24)13-20)14-25-4-1-5-26(7-6-25)22-18-9-15-8-16(11-18)12-19(22)10-15/h2-3,13,15-16,18-19,22H,1,4-12,14H2