3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]benzonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H19N3O4/c22-13-15-4-3-5-16(12-15)20(25)23-8-10-24(11-9-23)21(26)19-14-27-17-6-1-2-7-18(17)28-19/h1-7,12,19H,8-11,14H2