3-chloranyl-1-prop-2-ynyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane

Systemtic Name: 3-chloranyl-1-prop-2-ynyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane Openeye Name: 3-chloro-1-prop-2-ynyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane CAS Name: 3-chloro-1-prop-2-ynyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane IUPAC Name: 3-chloro-1-prop-2-ynyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane Traditional Name: 3-chloro-1-propargyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane Formula: C25H36ClN MolecularWeight: 386.01304

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C)C2=CC=C(C=C2)C3C(CCCCN3CC#C)Cl)C

Isomeric SMILES

CC1(CC(CC(C1)(C)C)C2=CC=C(C=C2)C3C(CCCCN3CC#C)Cl)C

InChI

InChI=1S/C25H36ClN/c1-6-14-27-15-8-7-9-22(26)23(27)20-12-10-19(11-13-20)21-16-24(2,3)18-25(4,5)17-21/h1,10-13,21-23H,7-9,14-18H2,2-5H3