2-(5-tert-butyl-1H-pyrazol-3-yl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one

Systemtic Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Openeye Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-7-(4-pyridylmethylamino)isoindolin-1-one CAS Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one IUPAC Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-7-(pyridin-4-ylmethylamino)-3H-isoindol-1-one Traditional Name: 2-(5-tert-butyl-1H-pyrazol-3-yl)-7-(4-pyridylmethylamino)isoindolin-1-one Formula: C21H23N5O MolecularWeight: 361.44022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC(=NN1)N2CC3=C(C2=O)C(=CC=C3)NCC4=CC=NC=C4

InChI

InChI=1S/C21H23N5O/c1-21(2,3)17-11-18(25-24-17)26-13-15-5-4-6-16(19(15)20(26)27)23-12-14-7-9-22-10-8-14/h4-11,23H,12-13H2,1-3H3,(H,24,25)