[4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenoxy)-5-nitro-phenyl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenoxy)-5-nitro-phenyl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenoxy)-5-nitro-phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[2-(4-methoxyphenoxy)-5-nitrophenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[2-(4-methoxyphenoxy)-5-nitrophenyl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[2-(4-methoxyphenoxy)-5-nitro-phenyl]methanone Formula: C26H27N3O5 MolecularWeight: 461.50968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])OC4=CC=C(C=C4)OC)C

InChI

InChI=1S/C26H27N3O5/c1-18-5-4-6-24(19(18)2)27-13-15-28(16-14-27)26(30)23-17-20(29(31)32)7-12-25(23)34-22-10-8-21(33-3)9-11-22/h4-12,17H,13-16H2,1-3H3