(4-nitrophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-nitrophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-nitrophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: (4-nitrophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-nitrophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (4-nitrophenyl)-[4-(3,4,5-trimethoxybenzyl)piperazino]methanone Formula: C21H25N3O6 MolecularWeight: 415.4397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-28-18-12-15(13-19(29-2)20(18)30-3)14-22-8-10-23(11-9-22)21(25)16-4-6-17(7-5-16)24(26)27/h4-7,12-13H,8-11,14H2,1-3H3