N'-(2-methyl-5-nitro-phenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide

Systemtic Name: N'-(2-methyl-5-nitro-phenyl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]ethanediamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-N'-(2-methyl-5-nitro-phenyl)oxamide CAS Name: N'-(2-methyl-5-nitrophenyl)-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]oxamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-N'-(2-methyl-5-nitrophenyl)oxamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-N'-(2-methyl-5-nitro-phenyl)oxamide Formula: C27H30N6O4 MolecularWeight: 502.5649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H30N6O4/c1-20-9-10-23(33(36)37)16-24(20)30-27(35)26(34)29-18-25(22-8-5-11-28-17-22)32-14-12-31(13-15-32)19-21-6-3-2-4-7-21/h2-11,16-17,25H,12-15,18-19H2,1H3,(H,29,34)(H,30,35)