N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]acetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]acetamide Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CC(C#N)(C1CC1)NC(=O)CN2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H26N4O4/c1-21(14-22,15-6-7-15)23-19(26)12-24-8-10-25(11-9-24)20(27)18-13-28-16-4-2-3-5-17(16)29-18/h2-5,15,18H,6-13H2,1H3,(H,23,26)