N-[3-azanyl-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-[4-(2-pyridyl)piperazin-1-yl]phenyl]-3-oxo-propyl]-2,5-dimethoxy-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-[4-(2-pyridinyl)-1-piperazinyl]phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-[4-(2-pyridyl)piperazino]phenyl]propyl]-2,5-dimethoxy-benzamide Formula: C27H30N6O6 MolecularWeight: 534.5637

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)NC(CC(=O)N)C2=CC(=C(C=C2)N3CCN(CC3)C4=CC=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C27H30N6O6/c1-38-19-7-9-24(39-2)20(16-19)27(35)30-21(17-25(28)34)18-6-8-22(23(15-18)33(36)37)31-11-13-32(14-12-31)26-5-3-4-10-29-26/h3-10,15-16,21H,11-14,17H2,1-2H3,(H2,28,34)(H,30,35)