2-[3-(1,3-benzodioxol-5-yl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]-N-(cyanomethyl)-4-methyl-pentanamide CAS Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]-N-(cyanomethyl)-4-methylpentanamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]-N-(cyanomethyl)-4-methylpentanamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)phenyl]-N-(cyanomethyl)-4-methyl-valeramide Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)OCO3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)OCO3)C(=O)NCC#N

InChI

InChI=1S/C21H22N2O3/c1-14(2)10-18(21(24)23-9-8-22)17-5-3-4-15(11-17)16-6-7-19-20(12-16)26-13-25-19/h3-7,11-12,14,18H,9-10,13H2,1-2H3,(H,23,24)