3-[4-(furan-2-ylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(furan-2-ylmethyl)-2-pyrrolidin-1-ylcarbonyl-piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2-furylmethyl)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2-furanylmethyl)-2-[oxo(1-pyrrolidinyl)methyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(furan-2-ylmethyl)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2-furfuryl)-2-(pyrrolidine-1-carbonyl)piperazine-1-carbonyl]benzonitrile Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CC4=CC=CO4

Isomeric SMILES

C1CCN(C1)C(=O)C2CN(CCN2C(=O)C3=CC=CC(=C3)C#N)CC4=CC=CO4

InChI

InChI=1S/C22H24N4O3/c23-14-17-5-3-6-18(13-17)21(27)26-11-10-24(15-19-7-4-12-29-19)16-20(26)22(28)25-8-1-2-9-25/h3-7,12-13,20H,1-2,8-11,15-16H2