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

Systemtic Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CC2COC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CC2COC3=CC=CC=C3O2)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H35N3O2/c1-22(2)27(21-28,23-9-4-3-5-10-23)13-8-14-29-15-17-30(18-16-29)19-24-20-31-25-11-6-7-12-26(25)32-24/h3-7,9-12,22,24H,8,13-20H2,1-2H3