7-methyl-2-(5-methylhexan-2-yl)-5-pyridin-3-yl-3H-isoindol-1-one

Systemtic Name: 7-methyl-2-(5-methylhexan-2-yl)-5-pyridin-3-yl-3H-isoindol-1-one Openeye Name: 2-(1,4-dimethylpentyl)-7-methyl-5-(3-pyridyl)isoindolin-1-one CAS Name: 7-methyl-2-(5-methylhexan-2-yl)-5-(3-pyridinyl)-3H-isoindol-1-one IUPAC Name: 7-methyl-2-(5-methylhexan-2-yl)-5-pyridin-3-yl-3H-isoindol-1-one Traditional Name: 2-(1,4-dimethylpentyl)-7-methyl-5-(3-pyridyl)isoindolin-1-one Formula: C21H26N2O MolecularWeight: 322.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1C(=O)N(C2)C(C)CCC(C)C)C3=CN=CC=C3

Isomeric SMILES

CC1=CC(=CC2=C1C(=O)N(C2)C(C)CCC(C)C)C3=CN=CC=C3

InChI

InChI=1S/C21H26N2O/c1-14(2)7-8-16(4)23-13-19-11-18(17-6-5-9-22-12-17)10-15(3)20(19)21(23)24/h5-6,9-12,14,16H,7-8,13H2,1-4H3