N-(1,3-dioxolan-4-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]ethanamide

Systemtic Name: N-(1,3-dioxolan-4-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]ethanamide Openeye Name: N-(1,3-dioxolan-4-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]acetamide CAS Name: N-(1,3-dioxolan-4-ylmethyl)-2-[1-[2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanyl]acetamide IUPAC Name: N-(1,3-dioxolan-4-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]acetamide Traditional Name: N-(1,3-dioxolan-4-ylmethyl)-2-[1-(2-imidazol-1-ylpyrimidin-4-yl)azepan-2-yl]acetamide Formula: C19H26N6O3 MolecularWeight: 386.44814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCC4COCO4

Isomeric SMILES

C1CCC(N(CC1)C2=NC(=NC=C2)N3C=CN=C3)CC(=O)NCC4COCO4

InChI

InChI=1S/C19H26N6O3/c26-18(22-11-16-12-27-14-28-16)10-15-4-2-1-3-8-25(15)17-5-6-21-19(23-17)24-9-7-20-13-24/h5-7,9,13,15-16H,1-4,8,10-12,14H2,(H,22,26)