4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-3-nitro-benzamide

Systemtic Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-3-nitro-benzamide Openeye Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-3-nitro-benzamide CAS Name: 4-[4-(2,5-dimethylphenyl)-1-piperazinyl]-N-(3-methoxyphenyl)-3-nitrobenzamide IUPAC Name: 4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[4-(2,5-dimethylphenyl)piperazino]-N-(3-methoxyphenyl)-3-nitro-benzamide Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)NC4=CC(=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O4/c1-18-7-8-19(2)24(15-18)29-13-11-28(12-14-29)23-10-9-20(16-25(23)30(32)33)26(31)27-21-5-4-6-22(17-21)34-3/h4-10,15-17H,11-14H2,1-3H3,(H,27,31)