N-[2-tert-butyl-5-[3-oxidanylidene-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-(dimethylamino)ethanamide

Systemtic Name: N-[2-tert-butyl-5-[3-oxidanylidene-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-(dimethylamino)ethanamide Openeye Name: N-[2-tert-butyl-5-[1-oxo-7-(4-pyridylmethylamino)isoindolin-2-yl]phenyl]-2-(dimethylamino)acetamide CAS Name: N-[2-tert-butyl-5-[3-oxo-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-(dimethylamino)acetamide IUPAC Name: N-[2-tert-butyl-5-[3-oxo-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-(dimethylamino)acetamide Traditional Name: N-[2-tert-butyl-5-[1-keto-7-(4-pyridylmethylamino)isoindolin-2-yl]phenyl]-2-(dimethylamino)acetamide Formula: C28H33N5O2 MolecularWeight: 471.59392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4)NC(=O)CN(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4)NC(=O)CN(C)C

InChI

InChI=1S/C28H33N5O2/c1-28(2,3)22-10-9-21(15-24(22)31-25(34)18-32(4)5)33-17-20-7-6-8-23(26(20)27(33)35)30-16-19-11-13-29-14-12-19/h6-15,30H,16-18H2,1-5H3,(H,31,34)