N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[2-[(2,4-dichlorophenyl)methyl]-3-pyrazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[2-(2,4-dichlorobenzyl)pyrazol-3-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C22H22Cl2N6O3 MolecularWeight: 489.35448

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=NN3CC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22Cl2N6O3/c1-27-8-10-28(11-9-27)19-5-3-15(12-20(19)30(32)33)22(31)26-21-6-7-25-29(21)14-16-2-4-17(23)13-18(16)24/h2-7,12-13H,8-11,14H2,1H3,(H,26,31)