2-(4-tert-butylphenyl)-7-(2-pyridin-4-ylethyl)-3H-isoindol-1-one

Systemtic Name: 2-(4-tert-butylphenyl)-7-(2-pyridin-4-ylethyl)-3H-isoindol-1-one Openeye Name: 2-(4-tert-butylphenyl)-7-[2-(4-pyridyl)ethyl]isoindolin-1-one CAS Name: 2-(4-tert-butylphenyl)-7-(2-pyridin-4-ylethyl)-3H-isoindol-1-one IUPAC Name: 2-(4-tert-butylphenyl)-7-(2-pyridin-4-ylethyl)-3H-isoindol-1-one Traditional Name: 2-(4-tert-butylphenyl)-7-[2-(4-pyridyl)ethyl]isoindolin-1-one Formula: C25H26N2O MolecularWeight: 370.48674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)CCC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2CC3=C(C2=O)C(=CC=C3)CCC4=CC=NC=C4

InChI

InChI=1S/C25H26N2O/c1-25(2,3)21-9-11-22(12-10-21)27-17-20-6-4-5-19(23(20)24(27)28)8-7-18-13-15-26-16-14-18/h4-6,9-16H,7-8,17H2,1-3H3