3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepane

Systemtic Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepane Openeye Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepane CAS Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepane IUPAC Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepane Traditional Name: 3,3,5-trimethyl-1-(3-phenylprop-2-ynyl)azepane Formula: C18H25N MolecularWeight: 255.3978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC(C1)(C)C)CC#CC2=CC=CC=C2

Isomeric SMILES

CC1CCN(CC(C1)(C)C)CC#CC2=CC=CC=C2

InChI

InChI=1S/C18H25N/c1-16-11-13-19(15-18(2,3)14-16)12-7-10-17-8-5-4-6-9-17/h4-6,8-9,16H,11-15H2,1-3H3