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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=C4OC)[N+](=O)[O-])C

InChI

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