3-hexyl-5,6-dimethyl-2-pyridin-3-yl-3H-isoindol-1-one

Systemtic Name: 3-hexyl-5,6-dimethyl-2-pyridin-3-yl-3H-isoindol-1-one Openeye Name: 3-hexyl-5,6-dimethyl-2-(3-pyridyl)isoindolin-1-one CAS Name: 3-hexyl-5,6-dimethyl-2-(3-pyridinyl)-3H-isoindol-1-one IUPAC Name: 3-hexyl-5,6-dimethyl-2-pyridin-3-yl-3H-isoindol-1-one Traditional Name: 3-hexyl-5,6-dimethyl-2-(3-pyridyl)isoindolin-1-one Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1C2=CC(=C(C=C2C(=O)N1C3=CN=CC=C3)C)C

Isomeric SMILES

CCCCCCC1C2=CC(=C(C=C2C(=O)N1C3=CN=CC=C3)C)C

InChI

InChI=1S/C21H26N2O/c1-4-5-6-7-10-20-18-12-15(2)16(3)13-19(18)21(24)23(20)17-9-8-11-22-14-17/h8-9,11-14,20H,4-7,10H2,1-3H3