2-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile

Systemtic Name: 2-[4-(4-ethylphenyl)carbonylpiperazin-1-yl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-5-nitro-benzonitrile CAS Name: 2-[4-[(4-ethylphenyl)-oxomethyl]-1-piperazinyl]-5-nitrobenzonitrile IUPAC Name: 2-[4-(4-ethylbenzoyl)piperazin-1-yl]-5-nitrobenzonitrile Traditional Name: 2-[4-(4-ethylbenzoyl)piperazino]-5-nitro-benzonitrile Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C20H20N4O3/c1-2-15-3-5-16(6-4-15)20(25)23-11-9-22(10-12-23)19-8-7-18(24(26)27)13-17(19)14-21/h3-8,13H,2,9-12H2,1H3