2-(2-diethylaminoethyl)-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one hydrate hydrochloride

Systemtic Name: 2-(2-diethylaminoethyl)-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one hydrate hydrochloride Openeye Name: 2-(2-diethylaminoethyl)-3-[2-(ethylamino)phenyl]isoindolin-1-one hydrate hydrochloride CAS Name: 2-(2-diethylaminoethyl)-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one hydrate hydrochloride IUPAC Name: 2-(2-diethylaminoethyl)-3-[2-(ethylamino)phenyl]-3H-isoindol-1-one hydrate hydrochloride Traditional Name: 2-(2-diethylaminoethyl)-3-[2-(ethylamino)phenyl]isoindolin-1-one hydrate hydrochloride Formula: C22H32ClN3O2 MolecularWeight: 405.96138

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=CC=C1C2C3=CC=CC=C3C(=O)N2CCN(CC)CC.O.Cl

Isomeric SMILES

CCNC1=CC=CC=C1C2C3=CC=CC=C3C(=O)N2CCN(CC)CC.O.Cl

InChI

InChI=1S/C22H29N3O.ClH.H2O/c1-4-23-20-14-10-9-13-19(20)21-17-11-7-8-12-18(17)22(26)25(21)16-15-24(5-2)6-3;;/h7-14,21,23H,4-6,15-16H2,1-3H3;1H;1H2