N-(2-chlorophenyl)-2-[4-[4-(methylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[4-[4-(methylamino)-3-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[4-[4-(methylamino)-3-nitro-benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2-chlorophenyl)-2-[4-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-chlorophenyl)-2-[4-[4-(methylamino)-3-nitrobenzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2-chlorophenyl)-2-[4-[4-(methylamino)-3-nitro-benzoyl]piperazino]acetamide Formula: C20H22ClN5O4 MolecularWeight: 431.87278

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN5O4/c1-22-17-7-6-14(12-18(17)26(29)30)20(28)25-10-8-24(9-11-25)13-19(27)23-16-5-3-2-4-15(16)21/h2-7,12,22H,8-11,13H2,1H3,(H,23,27)