N-(2,6-dimethylphenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(5-nitro-1-indazolyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[(5-nitroindazol-1-yl)methyl]piperazino]acetamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CN3C4=C(C=C(C=C4)[N+](=O)[O-])C=N3

InChI

InChI=1S/C22H26N6O3/c1-16-4-3-5-17(2)22(16)24-21(29)14-25-8-10-26(11-9-25)15-27-20-7-6-19(28(30)31)12-18(20)13-23-27/h3-7,12-13H,8-11,14-15H2,1-2H3,(H,24,29)