1-[(3-nitrophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine

Systemtic Name: 1-[(3-nitrophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Openeye Name: 1-[(3-nitrophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine CAS Name: 1-[(3-nitrophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine IUPAC Name: 1-[(3-nitrophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine Traditional Name: 1-(3-nitrobenzyl)-4-(2,3,4-trimethoxybenzyl)piperazine Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-])OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC3=CC(=CC=C3)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C21H27N3O5/c1-27-19-8-7-17(20(28-2)21(19)29-3)15-23-11-9-22(10-12-23)14-16-5-4-6-18(13-16)24(25)26/h4-8,13H,9-12,14-15H2,1-3H3