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

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

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CN3C4=NC(=NC=C4)N5C=CN=C5

Isomeric SMILES

CC(C1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CN3C4=NC(=NC=C4)N5C=CN=C5

InChI

InChI=1S/C21H18N6O3/c1-14(15-4-5-17-18(11-15)30-13-29-17)24-20(28)16-3-2-9-27(16)19-6-7-23-21(25-19)26-10-8-22-12-26/h2-12,14H,13H2,1H3,(H,24,28)