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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O5/c1-33-22-9-11-25(34-2)21(16-22)18-27-12-14-28(15-13-27)23-10-8-20(17-24(23)29(31)32)26(30)19-6-4-3-5-7-19/h3-11,16-17H,12-15,18H2,1-2H3