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

Systemtic Name: 2-[1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-4-oxidanylidene-pentan-3-yl]benzenecarbonitrile Openeye Name: 2-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-2-oxo-propyl]benzonitrile CAS Name: 2-[1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]-4-oxopentan-3-yl]benzonitrile IUPAC Name: 2-[1-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-4-oxopentan-3-yl]benzonitrile Traditional Name: 2-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]ethyl]-2-keto-propyl]benzonitrile Formula: C24H27N3O3 MolecularWeight: 405.48948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CCN1CCN(CC1)C2=C3C(=CC=C2)OCCO3)C4=CC=CC=C4C#N

Isomeric SMILES

CC(=O)C(CCN1CCN(CC1)C2=C3C(=CC=C2)OCCO3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H27N3O3/c1-18(28)20(21-6-3-2-5-19(21)17-25)9-10-26-11-13-27(14-12-26)22-7-4-8-23-24(22)30-16-15-29-23/h2-8,20H,9-16H2,1H3