1-[3-[3-chloranyl-4-(4,4-dimethylcyclohexyl)phenyl]prop-2-ynyl]azepane

Systemtic Name: 1-[3-[3-chloranyl-4-(4,4-dimethylcyclohexyl)phenyl]prop-2-ynyl]azepane Openeye Name: 1-[3-[3-chloro-4-(4,4-dimethylcyclohexyl)phenyl]prop-2-ynyl]azepane CAS Name: 1-[3-[3-chloro-4-(4,4-dimethylcyclohexyl)phenyl]prop-2-ynyl]azepane IUPAC Name: 1-[3-[3-chloro-4-(4,4-dimethylcyclohexyl)phenyl]prop-2-ynyl]azepane Traditional Name: 1-[3-[3-chloro-4-(4,4-dimethylcyclohexyl)phenyl]prop-2-ynyl]azepane Formula: C23H32ClN MolecularWeight: 357.95988

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=C(C=C2)C#CCN3CCCCCC3)Cl)C

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=C(C=C2)C#CCN3CCCCCC3)Cl)C

InChI

InChI=1S/C23H32ClN/c1-23(2)13-11-20(12-14-23)21-10-9-19(18-22(21)24)8-7-17-25-15-5-3-4-6-16-25/h9-10,18,20H,3-6,11-17H2,1-2H3