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

Systemtic Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-(2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)C(=O)NCCC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C24H28N6O3/c31-23(26-9-7-18-5-6-20-21(16-18)33-15-14-32-20)19-4-2-1-3-12-30(19)22-8-10-27-24(28-22)29-13-11-25-17-29/h5-6,8,10-11,13,16-17,19H,1-4,7,9,12,14-15H2,(H,26,31)