4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]carbonyl-3-fluoranyl-benzenecarbonitrile

Systemtic Name: 4-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]carbonyl-3-fluoranyl-benzenecarbonitrile Openeye Name: 4-[4-(1,3-benzodioxol-5-yl)piperazine-1-carbonyl]-3-fluoro-benzonitrile CAS Name: 4-[[4-(1,3-benzodioxol-5-yl)-1-piperazinyl]-oxomethyl]-3-fluorobenzonitrile IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)piperazine-1-carbonyl]-3-fluorobenzonitrile Traditional Name: 4-[4-(1,3-benzodioxol-5-yl)piperazine-1-carbonyl]-3-fluoro-benzonitrile Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CN(CCN1C2=CC3=C(C=C2)OCO3)C(=O)C4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C19H16FN3O3/c20-16-9-13(11-21)1-3-15(16)19(24)23-7-5-22(6-8-23)14-2-4-17-18(10-14)26-12-25-17/h1-4,9-10H,5-8,12H2