2-[(4-chlorophenyl)methyl]-1-(2,2-dimethylpropyl)azepane

Systemtic Name: 2-[(4-chlorophenyl)methyl]-1-(2,2-dimethylpropyl)azepane Openeye Name: 2-[(4-chlorophenyl)methyl]-1-(2,2-dimethylpropyl)azepane CAS Name: 2-[(4-chlorophenyl)methyl]-1-(2,2-dimethylpropyl)azepane IUPAC Name: 2-[(4-chlorophenyl)methyl]-1-(2,2-dimethylpropyl)azepane Traditional Name: 2-(4-chlorobenzyl)-1-neopentyl-azepane Formula: C18H28ClN MolecularWeight: 293.87462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1CCCCCC1CC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)CN1CCCCCC1CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H28ClN/c1-18(2,3)14-20-12-6-4-5-7-17(20)13-15-8-10-16(19)11-9-15/h8-11,17H,4-7,12-14H2,1-3H3