2-[4-[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-5-oxidanylidene-pyrrolidin-3-yl]carbonylpiperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-5-oxo-pyrrolidine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[[1-(1,3-benzodioxol-5-yl)-5-oxo-3-pyrrolidinyl]-oxomethyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-5-oxopyrrolidine-3-carbonyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[1-(1,3-benzodioxol-5-yl)-5-keto-pyrrolidine-3-carbonyl]piperazino]isonicotinonitrile Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC=CC(=C2)C#N)C(=O)C3CC(=O)N(C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N5O4/c23-12-15-3-4-24-20(9-15)25-5-7-26(8-6-25)22(29)16-10-21(28)27(13-16)17-1-2-18-19(11-17)31-14-30-18/h1-4,9,11,16H,5-8,10,13-14H2