1-[1,3-bis(chloranyl)-6-(trifluoromethyl)phenanthren-9-yl]-3-(butylamino)propan-1-ol hydrochloride

Systemtic Name: 1-[1,3-bis(chloranyl)-6-(trifluoromethyl)phenanthren-9-yl]-3-(butylamino)propan-1-ol hydrochloride Openeye Name: 3-(butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-ol hydrochloride CAS Name: 3-(butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenyl]-1-propanol hydrochloride IUPAC Name: 3-(butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol hydrochloride Traditional Name: 3-(butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)-9-phenanthryl]propan-1-ol hydrochloride Formula: C22H23Cl3F3NO MolecularWeight: 480.77833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl

Isomeric SMILES

CCCCNCCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl

InChI

InChI=1S/C22H22Cl2F3NO.ClH/c1-2-3-7-28-8-6-21(29)19-12-18-17(10-14(23)11-20(18)24)16-9-13(22(25,26)27)4-5-15(16)19;/h4-5,9-12,21,28-29H,2-3,6-8H2,1H3;1H