N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Traditional Name: N-homopiperonyl-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidine-2-carboxamide Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(N(C1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N6O3/c28-20(23-7-5-15-3-4-17-18(12-15)30-14-29-17)16-2-1-10-27(16)19-6-8-24-21(25-19)26-11-9-22-13-26/h3-4,6,8-9,11-13,16H,1-2,5,7,10,14H2,(H,23,28)