3-[5-chloranyl-2-(dimethylamino)phenyl]-2-(2-diethylaminoethyl)-3H-isoindol-1-one

Systemtic Name: 3-[5-chloranyl-2-(dimethylamino)phenyl]-2-(2-diethylaminoethyl)-3H-isoindol-1-one Openeye Name: 3-[5-chloro-2-(dimethylamino)phenyl]-2-(2-diethylaminoethyl)isoindolin-1-one CAS Name: 3-[5-chloro-2-(dimethylamino)phenyl]-2-(2-diethylaminoethyl)-3H-isoindol-1-one IUPAC Name: 3-[5-chloro-2-(dimethylamino)phenyl]-2-(2-diethylaminoethyl)-3H-isoindol-1-one Traditional Name: 3-[5-chloro-2-(dimethylamino)phenyl]-2-(2-diethylaminoethyl)isoindolin-1-one Formula: C22H28ClN3O MolecularWeight: 385.93022

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28ClN3O/c1-5-25(6-2)13-14-26-21(17-9-7-8-10-18(17)22(26)27)19-15-16(23)11-12-20(19)24(3)4/h7-12,15,21H,5-6,13-14H2,1-4H3