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

Systemtic Name: (4-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone Openeye Name: (4-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitro-phenyl]piperazin-1-yl]methanone CAS Name: (4-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (4-ethoxyphenyl)-[4-[3-(ethylamino)-4-nitrophenyl]piperazin-1-yl]methanone Traditional Name: [4-[3-(ethylamino)-4-nitro-phenyl]piperazino]-p-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=C(C=C3)OCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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