2-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazino]methyl]benzonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2C#N)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2C#N)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3/c22-13-16-5-1-2-6-17(16)14-23-9-11-24(12-10-23)21(25)20-15-26-18-7-3-4-8-19(18)27-20/h1-8,20H,9-12,14-15H2/t20-/m1/s1