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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-[2-(1-imidazolyl)-4-pyrimidinyl]-3-morpholinecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide Traditional Name: N-homopiperonyl-4-(2-imidazol-1-ylpyrimidin-4-yl)morpholine-3-carboxamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(N1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCC(N1C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N6O4/c28-20(23-5-3-15-1-2-17-18(11-15)31-14-30-17)16-12-29-10-9-27(16)19-4-6-24-21(25-19)26-8-7-22-13-26/h1-2,4,6-8,11,13,16H,3,5,9-10,12,14H2,(H,23,28)