N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-[2-(1-imidazolyl)-4-pyrimidinyl]-3-morpholinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]acetamide Traditional Name: 2-[4-(2-imidazol-1-ylpyrimidin-4-yl)morpholin-3-yl]-N-piperonyl-acetamide Formula: C21H22N6O4 MolecularWeight: 422.43718

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC(N1C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCC(N1C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

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