N-[3-(3-chloranyl-4-cyclohexyl-phenyl)prop-2-ynyl]-N-cyclohexyl-cyclohexanamine hydrochloride

Systemtic Name: N-[3-(3-chloranyl-4-cyclohexyl-phenyl)prop-2-ynyl]-N-cyclohexyl-cyclohexanamine hydrochloride Openeye Name: N-[3-(3-chloro-4-cyclohexyl-phenyl)prop-2-ynyl]-N-cyclohexyl-cyclohexanamine hydrochloride CAS Name: N-[3-(3-chloro-4-cyclohexylphenyl)prop-2-ynyl]-N-cyclohexylcyclohexanamine hydrochloride IUPAC Name: N-[3-(3-chloro-4-cyclohexylphenyl)prop-2-ynyl]-N-cyclohexylcyclohexanamine hydrochloride Traditional Name: 3-(3-chloro-4-cyclohexyl-phenyl)prop-2-ynyl-dicyclohexyl-amine hydrochloride Formula: C27H39Cl2N MolecularWeight: 448.51126

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C=C(C=C2)C#CCN(C3CCCCC3)C4CCCCC4)Cl.Cl

Isomeric SMILES

C1CCC(CC1)C2=C(C=C(C=C2)C#CCN(C3CCCCC3)C4CCCCC4)Cl.Cl

InChI

InChI=1S/C27H38ClN.ClH/c28-27-21-22(18-19-26(27)23-12-4-1-5-13-23)11-10-20-29(24-14-6-2-7-15-24)25-16-8-3-9-17-25;/h18-19,21,23-25H,1-9,12-17,20H2;1H