2-azanyl-3-fluoranyl-5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]benzenecarbonitrile hydrochloride

Systemtic Name: 2-azanyl-3-fluoranyl-5-[2-[1-(4-methoxyphenyl)propan-2-ylamino]-1-oxidanyl-ethyl]benzenecarbonitrile hydrochloride Openeye Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]benzonitrile hydrochloride CAS Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]benzonitrile hydrochloride IUPAC Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]benzonitrile hydrochloride Traditional Name: 2-amino-3-fluoro-5-[1-hydroxy-2-[[2-(4-methoxyphenyl)-1-methyl-ethyl]amino]ethyl]benzonitrile hydrochloride Formula: C19H23ClFN3O2 MolecularWeight: 379.856223

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C(=C2)C#N)N)F)O.Cl

Isomeric SMILES

CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C(=C2)C#N)N)F)O.Cl

InChI

InChI=1S/C19H22FN3O2.ClH/c1-12(7-13-3-5-16(25-2)6-4-13)23-11-18(24)14-8-15(10-21)19(22)17(20)9-14;/h3-6,8-9,12,18,23-24H,7,11,22H2,1-2H3;1H