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

Systemtic Name: N-[2-tert-butyl-5-[3-oxidanylidene-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-piperidin-1-yl-ethanamide Openeye Name: N-[2-tert-butyl-5-[1-oxo-7-(4-pyridylmethylamino)isoindolin-2-yl]phenyl]-2-(1-piperidyl)acetamide CAS Name: N-[2-tert-butyl-5-[3-oxo-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-(1-piperidinyl)acetamide IUPAC Name: N-[2-tert-butyl-5-[3-oxo-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-piperidin-1-ylacetamide Traditional Name: N-[2-tert-butyl-5-[1-keto-7-(4-pyridylmethylamino)isoindolin-2-yl]phenyl]-2-piperidino-acetamide Formula: C31H37N5O2 MolecularWeight: 511.65778

Click to see the large picture

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)CN5CCCCC5

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4)NC(=O)CN5CCCCC5

InChI

InChI=1S/C31H37N5O2/c1-31(2,3)25-11-10-24(18-27(25)34-28(37)21-35-16-5-4-6-17-35)36-20-23-8-7-9-26(29(23)30(36)38)33-19-22-12-14-32-15-13-22/h7-15,18,33H,4-6,16-17,19-21H2,1-3H3,(H,34,37)