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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-imidazol-1-ylpyrimidin-4-yl)propanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-imidazol-1-ylpyrimidin-4-yl)propanamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-[2-(1-imidazolyl)-4-pyrimidinyl]propanamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(2-imidazol-1-ylpyrimidin-4-yl)propanamide Traditional Name: N-homopiperonyl-3-(2-imidazol-1-ylpyrimidin-4-yl)propionamide Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCC3=NC(=NC=C3)N4C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)CCC3=NC(=NC=C3)N4C=CN=C4

InChI

InChI=1S/C19H19N5O3/c25-18(21-7-5-14-1-3-16-17(11-14)27-13-26-16)4-2-15-6-8-22-19(23-15)24-10-9-20-12-24/h1,3,6,8-12H,2,4-5,7,13H2,(H,21,25)