2-[1-cyclohexyl-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenecarbonitrile

Systemtic Name: 2-[1-cyclohexyl-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-oxidanylidene-butan-2-yl]benzenecarbonitrile Openeye Name: 2-[1-(cyclohexanecarbonyl)-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propyl]benzonitrile CAS Name: 2-[1-cyclohexyl-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-1-oxobutan-2-yl]benzonitrile IUPAC Name: 2-[1-cyclohexyl-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-oxobutan-2-yl]benzonitrile Traditional Name: 2-[1-(cyclohexanecarbonyl)-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]propyl]benzonitrile Formula: C29H35N3O3 MolecularWeight: 473.6065

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)C(CCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C5=CC=CC=C5C#N

Isomeric SMILES

C1CCC(CC1)C(=O)C(CCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C5=CC=CC=C5C#N

InChI

InChI=1S/C29H35N3O3/c30-21-23-9-4-5-10-24(23)25(28(33)22-7-2-1-3-8-22)13-14-31-15-17-32(18-16-31)26-11-6-12-27-29(26)35-20-19-34-27/h4-6,9-12,22,25H,1-3,7-8,13-20H2