1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone Openeye Name: 1-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-2-(4-nitro-1-imidazolyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-(4-nitroimidazol-1-yl)ethanone Traditional Name: 1-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-2-(4-nitroimidazol-1-yl)ethanone Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)CN3C=C(N=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3/c1-13(2)16-5-7-17(8-6-16)23-14(3)9-18(15(23)4)19(25)10-22-11-20(21-12-22)24(26)27/h5-9,11-13H,10H2,1-4H3