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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolidinyl]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]propanamide Traditional Name: N-homopiperonyl-3-[1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrolidin-2-yl]propionamide Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O3/c30-22(25-9-7-17-3-5-19-20(14-17)32-16-31-19)6-4-18-2-1-12-29(18)21-8-10-26-23(27-21)28-13-11-24-15-28/h3,5,8,10-11,13-15,18H,1-2,4,6-7,9,12,16H2,(H,25,30)