N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-yl-phenyl]-4-nitro-benzamide

Systemtic Name: N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-yl-phenyl]-4-nitro-benzamide Openeye Name: N-[5-(4-methoxyphthalazin-1-yl)-2-(1-piperidyl)phenyl]-4-nitro-benzamide CAS Name: N-[5-(4-methoxy-1-phthalazinyl)-2-(1-piperidinyl)phenyl]-4-nitrobenzamide IUPAC Name: N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-4-nitrobenzamide Traditional Name: N-[5-(4-methoxyphthalazin-1-yl)-2-piperidino-phenyl]-4-nitro-benzamide Formula: C27H25N5O4 MolecularWeight: 483.5185

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=NN=C(C2=CC=CC=C21)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O4/c1-36-27-22-8-4-3-7-21(22)25(29-30-27)19-11-14-24(31-15-5-2-6-16-31)23(17-19)28-26(33)18-9-12-20(13-10-18)32(34)35/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,33)