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

Systemtic Name: N-[2-tert-butyl-5-[3-oxidanylidene-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-morpholin-4-yl-ethanamide Openeye Name: N-[2-tert-butyl-5-[1-oxo-7-(4-pyridylmethylamino)isoindolin-2-yl]phenyl]-2-morpholino-acetamide CAS Name: N-[2-tert-butyl-5-[3-oxo-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-(4-morpholinyl)acetamide IUPAC Name: N-[2-tert-butyl-5-[3-oxo-4-(pyridin-4-ylmethylamino)-1H-isoindol-2-yl]phenyl]-2-morpholin-4-ylacetamide Traditional Name: N-[2-tert-butyl-5-[1-keto-7-(4-pyridylmethylamino)isoindolin-2-yl]phenyl]-2-morpholino-acetamide Formula: C30H35N5O3 MolecularWeight: 513.6306

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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)CN5CCOCC5

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4)NC(=O)CN5CCOCC5

InChI

InChI=1S/C30H35N5O3/c1-30(2,3)24-8-7-23(17-26(24)33-27(36)20-34-13-15-38-16-14-34)35-19-22-5-4-6-25(28(22)29(35)37)32-18-21-9-11-31-12-10-21/h4-12,17,32H,13-16,18-20H2,1-3H3,(H,33,36)