N-(1,3-benzodioxol-5-ylmethyl)-3-(2-imidazol-1-ylpyrimidin-4-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-imidazol-1-ylpyrimidin-4-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-imidazol-1-ylpyrimidin-4-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-imidazolyl)-4-pyrimidinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(2-imidazol-1-ylpyrimidin-4-yl)propanamide Traditional Name: 3-(2-imidazol-1-ylpyrimidin-4-yl)-N-piperonyl-propionamide Formula: C18H17N5O3 MolecularWeight: 351.35928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O3/c24-17(21-10-13-1-3-15-16(9-13)26-12-25-15)4-2-14-5-6-20-18(22-14)23-8-7-19-11-23/h1,3,5-9,11H,2,4,10,12H2,(H,21,24)