N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxy-phenyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxy-phenyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxy-phenyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[5-(2-imidazo[1,2-a]pyrimidinyl)-2-methoxyphenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxy-phenyl)-piperonylamide Formula: C21H16N4O4 MolecularWeight: 388.37614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CN3C=CC=NC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16N4O4/c1-27-17-5-3-13(16-11-25-8-2-7-22-21(25)24-16)9-15(17)23-20(26)14-4-6-18-19(10-14)29-12-28-18/h2-11H,12H2,1H3,(H,23,26)