5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)C(=O)C2COC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H33N3O3/c1-21(2)27(20-28,22-9-4-3-5-10-22)13-8-14-29-15-17-30(18-16-29)26(31)25-19-32-23-11-6-7-12-24(23)33-25/h3-7,9-12,21,25H,8,13-19H2,1-2H3