3-(2-azanyl-5-chloranyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one hydrate tetrahydrochloride

Systemtic Name: 3-(2-azanyl-5-chloranyl-phenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one hydrate tetrahydrochloride Openeye Name: 3-(2-amino-5-chloro-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one hydrate tetrahydrochloride CAS Name: 3-(2-amino-5-chlorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one hydrate tetrahydrochloride IUPAC Name: 3-(2-amino-5-chlorophenyl)-2-(2-diethylaminoethyl)-3H-isoindol-1-one hydrate tetrahydrochloride Traditional Name: 3-(2-amino-5-chloro-phenyl)-2-(2-diethylaminoethyl)isoindolin-1-one hydrate tetrahydrochloride Formula: C40H54Cl6N6O3 MolecularWeight: 879.61316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C20H24ClN3O.4ClH.H2O/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;1H2