3-(2-azanyl-5-fluoranyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one trihydrate tetrahydrochloride

Systemtic Name: 3-(2-azanyl-5-fluoranyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one trihydrate tetrahydrochloride Openeye Name: 3-(2-amino-5-fluoro-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one trihydrate tetrahydrochloride CAS Name: 3-(2-amino-5-fluorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one trihydrate tetrahydrochloride IUPAC Name: 3-(2-amino-5-fluorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one trihydrate tetrahydrochloride Traditional Name: 3-(2-amino-5-fluoro-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one trihydrate tetrahydrochloride Formula: C40H58Cl4F2N6O5 MolecularWeight: 882.734526

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)F)N.CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)F)N.O.O.O.Cl.Cl.Cl.Cl

Isomeric SMILES

CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)F)N.CCN(CC)CCN1C(C2=CC=CC=C2C1=O)C3=C(C=CC(=C3)F)N.O.O.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C20H24FN3O.4ClH.3H2O/c2*1-3-23(4-2)11-12-24-19(17-13-14(21)9-10-18(17)22)15-7-5-6-8-16(15)20(24)25;;;;;;;/h2*5-10,13,19H,3-4,11-12,22H2,1-2H3;4*1H;3*1H2