N'-(4-methylphenyl)-N-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]ethyl]ethanediamide

Systemtic Name: N'-(4-methylphenyl)-N-[2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]ethyl]ethanediamide Openeye Name: N-[2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl]-N'-(p-tolyl)oxamide CAS Name: N'-(4-methylphenyl)-N-[2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]ethyl]oxamide IUPAC Name: N'-(4-methylphenyl)-N-[2-[4-(3-nitrobenzoyl)piperazin-1-yl]ethyl]oxamide Traditional Name: N-[2-[4-(3-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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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