N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Formula: C23H26N6O3 MolecularWeight: 434.49094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C23H26N6O3/c30-22(26-15-17-5-6-19-20(14-17)32-13-12-31-19)18-4-2-1-3-10-29(18)21-7-8-25-23(27-21)28-11-9-24-16-28/h5-9,11,14,16,18H,1-4,10,12-13,15H2,(H,26,30)