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

Systemtic Name: N-[3-azanyl-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxidanylidene-propyl]-2,5-dimethoxy-benzamide Openeye Name: N-[3-amino-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxo-propyl]-2,5-dimethoxy-benzamide CAS Name: N-[3-amino-1-[3-nitro-4-(4-phenyl-1-piperazinyl)phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide IUPAC Name: N-[3-amino-1-[3-nitro-4-(4-phenylpiperazin-1-yl)phenyl]-3-oxopropyl]-2,5-dimethoxybenzamide Traditional Name: N-[3-amino-3-keto-1-[3-nitro-4-(4-phenylpiperazino)phenyl]propyl]-2,5-dimethoxy-benzamide Formula: C28H31N5O6 MolecularWeight: 533.57564

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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=C4)[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=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O6/c1-38-21-9-11-26(39-2)22(17-21)28(35)30-23(18-27(29)34)19-8-10-24(25(16-19)33(36)37)32-14-12-31(13-15-32)20-6-4-3-5-7-20/h3-11,16-17,23H,12-15,18H2,1-2H3,(H2,29,34)(H,30,35)