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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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