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

Systemtic Name: 3-(2-aminophenyl)-2-[3-(diethylamino)propyl]-3H-isoindol-1-one hydrate hydrochloride Openeye Name: 3-(2-aminophenyl)-2-[3-(diethylamino)propyl]isoindolin-1-one hydrate hydrochloride CAS Name: 3-(2-aminophenyl)-2-[3-(diethylamino)propyl]-3H-isoindol-1-one hydrate hydrochloride IUPAC Name: 3-(2-aminophenyl)-2-[3-(diethylamino)propyl]-3H-isoindol-1-one hydrate hydrochloride Traditional Name: 3-(2-aminophenyl)-2-[3-(diethylamino)propyl]isoindolin-1-one hydrate hydrochloride Formula: C21H30ClN3O2 MolecularWeight: 391.9348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O.ClH.H2O/c1-3-23(4-2)14-9-15-24-20(18-12-7-8-13-19(18)22)16-10-5-6-11-17(16)21(24)25;;/h5-8,10-13,20H,3-4,9,14-15,22H2,1-2H3;1H;1H2