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

Systemtic Name: 2-[(1E)-2-cyclohexyl-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-hydroxyimino-butan-2-yl]benzenecarbonitrile Openeye Name: 2-[1-cyclohexyl-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-[(E)-hydroxyiminomethyl]propyl]benzonitrile CAS Name: 2-[(1E)-2-cyclohexyl-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-1-hydroxyiminobutan-2-yl]benzonitrile IUPAC Name: 2-[(1E)-2-cyclohexyl-4-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-1-hydroxyiminobutan-2-yl]benzonitrile Traditional Name: 2-[1-cyclohexyl-3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]-1-[(E)-hydroximinomethyl]propyl]benzonitrile Formula: C29H36N4O3 MolecularWeight: 488.62114

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)(C=NO)C5=CC=CC=C5C#N

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O3/c30-21-23-7-4-5-10-25(23)29(22-31-34,24-8-2-1-3-9-24)13-14-32-15-17-33(18-16-32)26-11-6-12-27-28(26)36-20-19-35-27/h4-7,10-12,22,24,34H,1-3,8-9,13-20H2/b31-22+