(2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(3-cyclopentyl-1-oxopropyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[1,3-benzodioxol-5-yl(cyano)methyl]-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CCCC2C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CCC[C@H]2C(=O)NC(C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O4/c23-13-17(16-8-9-19-20(12-16)29-14-28-19)24-22(27)18-6-3-11-25(18)21(26)10-7-15-4-1-2-5-15/h8-9,12,15,17-18H,1-7,10-11,14H2,(H,24,27)/t17?,18-/m0/s1