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

Systemtic Name: 3-[2-(butylamino)-5-chloranyl-phenyl]-2-(2-diethylaminoethyl)-3H-isoindol-1-one Openeye Name: 3-[2-(butylamino)-5-chloro-phenyl]-2-(2-diethylaminoethyl)isoindolin-1-one CAS Name: 3-[2-(butylamino)-5-chlorophenyl]-2-(2-diethylaminoethyl)-3H-isoindol-1-one IUPAC Name: 3-[2-(butylamino)-5-chlorophenyl]-2-(2-diethylaminoethyl)-3H-isoindol-1-one Traditional Name: 3-[2-(butylamino)-5-chloro-phenyl]-2-(2-diethylaminoethyl)isoindolin-1-one Formula: C24H32ClN3O MolecularWeight: 413.98338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)Cl)C2C3=CC=CC=C3C(=O)N2CCN(CC)CC

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)Cl)C2C3=CC=CC=C3C(=O)N2CCN(CC)CC

InChI

InChI=1S/C24H32ClN3O/c1-4-7-14-26-22-13-12-18(25)17-21(22)23-19-10-8-9-11-20(19)24(29)28(23)16-15-27(5-2)6-3/h8-13,17,23,26H,4-7,14-16H2,1-3H3