3-(2-aminophenyl)-2-[1-(dibutylamino)propyl]-3H-isoindol-1-one dihydrate hydrochloride

Systemtic Name: 3-(2-aminophenyl)-2-[1-(dibutylamino)propyl]-3H-isoindol-1-one dihydrate hydrochloride Openeye Name: 3-(2-aminophenyl)-2-[1-(dibutylamino)propyl]isoindolin-1-one dihydrate hydrochloride CAS Name: 3-(2-aminophenyl)-2-[1-(dibutylamino)propyl]-3H-isoindol-1-one dihydrate hydrochloride IUPAC Name: 3-(2-aminophenyl)-2-[1-(dibutylamino)propyl]-3H-isoindol-1-one dihydrate hydrochloride Traditional Name: 3-(2-aminophenyl)-2-[1-(dibutylamino)propyl]isoindolin-1-one dihydrate hydrochloride Formula: C25H40ClN3O3 MolecularWeight: 466.0564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(CC)N1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.O.O.Cl

Isomeric SMILES

CCCCN(CCCC)C(CC)N1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.O.O.Cl

InChI

InChI=1S/C25H35N3O.ClH.2H2O/c1-4-7-17-27(18-8-5-2)23(6-3)28-24(21-15-11-12-16-22(21)26)19-13-9-10-14-20(19)25(28)29;;;/h9-16,23-24H,4-8,17-18,26H2,1-3H3;1H;2*1H2