N-(cyanomethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-4-methyl-pentanamide

Systemtic Name: N-(cyanomethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-4-methyl-pentanamide Openeye Name: N-(cyanomethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-4-methyl-pentanamide CAS Name: N-(cyanomethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-4-methylpentanamide IUPAC Name: N-(cyanomethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-4-methylpentanamide Traditional Name: N-(cyanomethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-4-methyl-valeramide Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)OCCO3)C(=O)NCC#N

Isomeric SMILES

CC(C)CC(C1=CC=CC(=C1)C2=CC3=C(C=C2)OCCO3)C(=O)NCC#N

InChI

InChI=1S/C22H24N2O3/c1-15(2)12-19(22(25)24-9-8-23)18-5-3-4-16(13-18)17-6-7-20-21(14-17)27-11-10-26-20/h3-7,13-15,19H,9-12H2,1-2H3,(H,24,25)