2-[2-(3,4-dichlorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-[2-(3,4-dichlorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Openeye Name: 2-[2-(3,4-dichlorophenyl)ethyl]-7-(4-pyridylmethylamino)isoindolin-1-one CAS Name: 2-[2-(3,4-dichlorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-[2-(3,4-dichlorophenyl)ethyl]-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Traditional Name: 2-[2-(3,4-dichlorophenyl)ethyl]-7-(4-pyridylmethylamino)isoindolin-1-one Formula: C22H19Cl2N3O MolecularWeight: 412.31176

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1CCC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1C2=C(C(=CC=C2)NCC3=CC=NC=C3)C(=O)N1CCC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H19Cl2N3O/c23-18-5-4-15(12-19(18)24)8-11-27-14-17-2-1-3-20(21(17)22(27)28)26-13-16-6-9-25-10-7-16/h1-7,9-10,12,26H,8,11,13-14H2