N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)azepane-2-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-azepanecarboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)azepane-2-carboxamide Traditional Name: 1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-homopiperonyl-azepane-2-carboxamide Formula: C23H25ClN6O3 MolecularWeight: 468.936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(N(CC1)C2=CC(=NC(=N2)N3C=CN=C3)Cl)C(=O)NCCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25ClN6O3/c24-20-13-21(28-23(27-20)29-11-9-25-14-29)30-10-3-1-2-4-17(30)22(31)26-8-7-16-5-6-18-19(12-16)33-15-32-18/h5-6,9,11-14,17H,1-4,7-8,10,15H2,(H,26,31)