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

Systemtic Name: (3,5-diethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (3,5-diethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: (3,5-diethoxyphenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (3,5-diethoxyphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3,5-diethoxyphenyl)-[4-(4-nitrophenyl)piperazino]methanone Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H25N3O5/c1-3-28-19-13-16(14-20(15-19)29-4-2)21(25)23-11-9-22(10-12-23)17-5-7-18(8-6-17)24(26)27/h5-8,13-15H,3-4,9-12H2,1-2H3