(2E)-5-[2-(azepan-1-yl)ethoxy]-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-3H-inden-1-one

Systemtic Name: (2E)-5-[2-(azepan-1-yl)ethoxy]-2-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-3H-inden-1-one Openeye Name: (2E)-5-[2-(azepan-1-yl)ethoxy]-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]indan-1-one CAS Name: (2E)-5-[2-(1-azepanyl)ethoxy]-2-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-3H-inden-1-one IUPAC Name: (2E)-5-[2-(azepan-1-yl)ethoxy]-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-3H-inden-1-one Traditional Name: (2E)-5-[2-(azepan-1-yl)ethoxy]-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]indan-1-one Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C=C2CC3=C(C2=O)C=CC(=C3)OCCN4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1/C=C/2\CC3=C(C2=O)C=CC(=C3)OCCN4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4/c1-24-20(23-15-21(24)26(28)29)14-17-12-16-13-18(6-7-19(16)22(17)27)30-11-10-25-8-4-2-3-5-9-25/h6-7,13-15H,2-5,8-12H2,1H3/b17-14+