N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C24H28N6O3 MolecularWeight: 448.51752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C3=CC(=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-])C

InChI

InChI=1S/C24H28N6O3/c1-16-5-8-20(9-6-16)29-18(3)23(17(2)26-29)25-24(31)19-7-10-21(22(15-19)30(32)33)28-13-11-27(4)12-14-28/h5-10,15H,11-14H2,1-4H3,(H,25,31)