2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate

Systemtic Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Openeye Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate CAS Name: 4-(4-nitrophenyl)-1-piperazinecarboxylic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]ethyl 4-(4-nitrophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-nitrophenyl)piperazine-1-carboxylic acid 2-[4-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperazino]ethyl ester Formula: C26H33N5O7 MolecularWeight: 527.56952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CCOC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CN3CCN(CC3)CCOC(=O)N4CCN(CC4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O7/c1-35-23-16-20(17-24-25(23)38-19-37-24)18-28-8-6-27(7-9-28)14-15-36-26(32)30-12-10-29(11-13-30)21-2-4-22(5-3-21)31(33)34/h2-5,16-17H,6-15,18-19H2,1H3