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

Systemtic Name: 3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]-3H-isoindol-1-one hydrate hydrochloride Openeye Name: 3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]isoindolin-1-one hydrate hydrochloride CAS Name: 3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]-3H-isoindol-1-one hydrate hydrochloride IUPAC Name: 3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]-3H-isoindol-1-one hydrate hydrochloride Traditional Name: 3-(2-aminophenyl)-2-[3-(dibutylamino)propyl]isoindolin-1-one hydrate hydrochloride Formula: C25H38ClN3O2 MolecularWeight: 448.04112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.O.Cl

Isomeric SMILES

CCCCN(CCCC)CCCN1C(C2=CC=CC=C2C1=O)C3=CC=CC=C3N.O.Cl

InChI

InChI=1S/C25H35N3O.ClH.H2O/c1-3-5-16-27(17-6-4-2)18-11-19-28-24(22-14-9-10-15-23(22)26)20-12-7-8-13-21(20)25(28)29;;/h7-10,12-15,24H,3-6,11,16-19,26H2,1-2H3;1H;1H2