N-(2-methoxy-5-nitro-phenyl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-amine

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-amine Openeye Name: N-(2-methoxy-5-nitro-phenyl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-amine CAS Name: N-(2-methoxy-5-nitrophenyl)-1-[(2,4,5-trimethoxyphenyl)methyl]-4-piperidinamine IUPAC Name: N-(2-methoxy-5-nitrophenyl)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-4-amine Traditional Name: (2-methoxy-5-nitro-phenyl)-[1-(2,4,5-trimethoxybenzyl)-4-piperidyl]amine Formula: C22H29N3O6 MolecularWeight: 431.48216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC2CCN(CC2)CC3=CC(=C(C=C3OC)OC)OC

InChI

InChI=1S/C22H29N3O6/c1-28-19-6-5-17(25(26)27)12-18(19)23-16-7-9-24(10-8-16)14-15-11-21(30-3)22(31-4)13-20(15)29-2/h5-6,11-13,16,23H,7-10,14H2,1-4H3