2-phenethyl-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-phenethyl-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Openeye Name: 2-phenethyl-7-(4-pyridylmethylamino)isoindolin-1-one CAS Name: 2-phenethyl-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-phenethyl-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Traditional Name: 2-phenethyl-7-(4-pyridylmethylamino)isoindolin-1-one Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O/c26-22-21-19(16-25(22)14-11-17-5-2-1-3-6-17)7-4-8-20(21)24-15-18-9-12-23-13-10-18/h1-10,12-13,24H,11,14-16H2