(3-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone

Systemtic Name: (3-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (3-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (3-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazino]-m-phenetyl-methanone Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OCC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O4/c1-3-22-19-15-17(8-9-20(19)25(27)28)23-10-12-24(13-11-23)21(26)16-6-5-7-18(14-16)29-4-2/h5-9,14-15,22H,3-4,10-13H2,1-2H3