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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrole-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrole-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-pyrrolecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrole-2-carboxamide Traditional Name: N-homopiperonyl-1-(2-imidazol-1-ylpyrimidin-4-yl)pyrrole-2-carboxamide Formula: C21H18N6O3 MolecularWeight: 402.40602

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC=CN3C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CCNC(=O)C3=CC=CN3C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C21H18N6O3/c28-20(23-7-5-15-3-4-17-18(12-15)30-14-29-17)16-2-1-10-27(16)19-6-8-24-21(25-19)26-11-9-22-13-26/h1-4,6,8-13H,5,7,14H2,(H,23,28)