1-[3-(3-chloranyl-4-cyclohexyl-phenyl)prop-1-ynyl]azepane

Systemtic Name: 1-[3-(3-chloranyl-4-cyclohexyl-phenyl)prop-1-ynyl]azepane Openeye Name: 1-[3-(3-chloro-4-cyclohexyl-phenyl)prop-1-ynyl]azepane CAS Name: 1-[3-(3-chloro-4-cyclohexylphenyl)prop-1-ynyl]azepane IUPAC Name: 1-[3-(3-chloro-4-cyclohexylphenyl)prop-1-ynyl]azepane Traditional Name: 1-[3-(3-chloro-4-cyclohexyl-phenyl)prop-1-ynyl]azepane Formula: C21H28ClN MolecularWeight: 329.90672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C#CCC2=CC(=C(C=C2)C3CCCCC3)Cl

Isomeric SMILES

C1CCCN(CC1)C#CCC2=CC(=C(C=C2)C3CCCCC3)Cl

InChI

InChI=1S/C21H28ClN/c22-21-17-18(9-8-16-23-14-6-1-2-7-15-23)12-13-20(21)19-10-4-3-5-11-19/h12-13,17,19H,1-7,9-11,14-15H2