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

Systemtic Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-piperazinyl]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperazino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H39N3O4/c1-22(2)29(21-30,23-10-11-25(33-3)28(18-23)34-4)12-7-13-31-14-16-32(17-15-31)19-24-20-35-26-8-5-6-9-27(26)36-24/h5-6,8-11,18,22,24H,7,12-17,19-20H2,1-4H3