1-(1-cyclohexyl-3-phenyl-prop-2-ynyl)azepane

Systemtic Name: 1-(1-cyclohexyl-3-phenyl-prop-2-ynyl)azepane Openeye Name: 1-(1-cyclohexyl-3-phenyl-prop-2-ynyl)azepane CAS Name: 1-(1-cyclohexyl-3-phenylprop-2-ynyl)azepane IUPAC Name: 1-(1-cyclohexyl-3-phenylprop-2-ynyl)azepane Traditional Name: 1-(1-cyclohexyl-3-phenyl-prop-2-ynyl)azepane Formula: C21H29N MolecularWeight: 295.46166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(C#CC2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

C1CCCN(CC1)C(C#CC2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C21H29N/c1-2-10-18-22(17-9-1)21(20-13-7-4-8-14-20)16-15-19-11-5-3-6-12-19/h3,5-6,11-12,20-21H,1-2,4,7-10,13-14,17-18H2