1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Openeye Name: 1-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-nitroindazol-1-yl)ethanone CAS Name: 1-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-(6-nitro-1-indazolyl)ethanone IUPAC Name: 1-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]-2-(6-nitroindazol-1-yl)ethanone Traditional Name: 1-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)-2-(6-nitroindazol-1-yl)ethanone Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])C=N2

InChI

InChI=1S/C20H24N4O3/c1-13(2)7-8-22-14(3)9-18(15(22)4)20(25)12-23-19-10-17(24(26)27)6-5-16(19)11-21-23/h5-6,9-11,13H,7-8,12H2,1-4H3