3-[cyclohexyl-(2-oxidanyl-2-phenanthren-9-yl-ethyl)amino]propanenitrile chloride

Systemtic Name: 3-[cyclohexyl-(2-oxidanyl-2-phenanthren-9-yl-ethyl)amino]propanenitrile chloride Openeye Name: 3-[cyclohexyl-[2-hydroxy-2-(9-phenanthryl)ethyl]amino]propanenitrile chloride CAS Name: 3-[cyclohexyl-[2-hydroxy-2-(9-phenanthrenyl)ethyl]amino]propanenitrile chloride IUPAC Name: 3-[cyclohexyl-(2-hydroxy-2-phenanthren-9-ylethyl)amino]propanenitrile chloride Traditional Name: 3-[cyclohexyl-[2-hydroxy-2-(9-phenanthryl)ethyl]amino]propionitrile chloride Formula: C25H28ClN2O- MolecularWeight: 407.95562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(CCC#N)CC(C2=CC3=CC=CC=C3C4=CC=CC=C42)O.[Cl-]

Isomeric SMILES

C1CCC(CC1)N(CCC#N)CC(C2=CC3=CC=CC=C3C4=CC=CC=C42)O.[Cl-]

InChI

InChI=1S/C25H28N2O.ClH/c26-15-8-16-27(20-10-2-1-3-11-20)18-25(28)24-17-19-9-4-5-12-21(19)22-13-6-7-14-23(22)24;/h4-7,9,12-14,17,20,25,28H,1-3,8,10-11,16,18H2;1H/p-1