2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile

Systemtic Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile Openeye Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-imidazol-1-ylpropylamino)oxazole-4-carbonitrile CAS Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-[3-(1-imidazolyl)propylamino]-4-oxazolecarbonitrile IUPAC Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-imidazol-1-ylpropylamino)-1,3-oxazole-4-carbonitrile Traditional Name: 2-(1,3-benzodioxol-5-yloxymethyl)-5-(3-imidazol-1-ylpropylamino)oxazole-4-carbonitrile Formula: C18H17N5O4 MolecularWeight: 367.35868

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OCC3=NC(=C(O3)NCCCN4C=CN=C4)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OCC3=NC(=C(O3)NCCCN4C=CN=C4)C#N

InChI

InChI=1S/C18H17N5O4/c19-9-14-18(21-4-1-6-23-7-5-20-11-23)27-17(22-14)10-24-13-2-3-15-16(8-13)26-12-25-15/h2-3,5,7-8,11,21H,1,4,6,10,12H2