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

Systemtic Name: 3-chloranyl-1-prop-1-en-2-yl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane Openeye Name: 3-chloro-1-isopropenyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane CAS Name: 3-chloro-1-(1-methylethenyl)-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane IUPAC Name: 3-chloro-1-prop-1-en-2-yl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane Traditional Name: 3-chloro-1-isopropenyl-2-[4-(3,3,5,5-tetramethylcyclohexyl)phenyl]azepane Formula: C25H38ClN MolecularWeight: 388.02892

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)N1CCCCC(C1C2=CC=C(C=C2)C3CC(CC(C3)(C)C)(C)C)Cl

Isomeric SMILES

CC(=C)N1CCCCC(C1C2=CC=C(C=C2)C3CC(CC(C3)(C)C)(C)C)Cl

InChI

InChI=1S/C25H38ClN/c1-18(2)27-14-8-7-9-22(26)23(27)20-12-10-19(11-13-20)21-15-24(3,4)17-25(5,6)16-21/h10-13,21-23H,1,7-9,14-17H2,2-6H3