N'-(4-methylphenyl)-N-[2-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-[4-(4-nitrophenyl)carbonylpiperazin-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N'-(4-methylphenyl)-N-[2-[4-[(4-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-[4-(4-nitrobenzoyl)piperazin-1-yl]ethyl]oxamide Traditional Name: N-[2-[4-(4-nitrobenzoyl)piperazino]ethyl]-N'-(p-tolyl)oxamide Formula: C22H25N5O5 MolecularWeight: 439.4644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(=O)NCCN2CCN(CC2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5/c1-16-2-6-18(7-3-16)24-21(29)20(28)23-10-11-25-12-14-26(15-13-25)22(30)17-4-8-19(9-5-17)27(31)32/h2-9H,10-15H2,1H3,(H,23,28)(H,24,29)