N-[5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-piperidin-1-yl-phenyl]-2-(4-nitrophenoxy)ethanamide

Systemtic Name: N-[5-(3-methyl-4-oxidanylidene-phthalazin-1-yl)-2-piperidin-1-yl-phenyl]-2-(4-nitrophenoxy)ethanamide Openeye Name: N-[5-(3-methyl-4-oxo-phthalazin-1-yl)-2-(1-piperidyl)phenyl]-2-(4-nitrophenoxy)acetamide CAS Name: N-[5-(3-methyl-4-oxo-1-phthalazinyl)-2-(1-piperidinyl)phenyl]-2-(4-nitrophenoxy)acetamide IUPAC Name: N-[5-(3-methyl-4-oxophthalazin-1-yl)-2-piperidin-1-ylphenyl]-2-(4-nitrophenoxy)acetamide Traditional Name: N-[5-(4-keto-3-methyl-phthalazin-1-yl)-2-piperidino-phenyl]-2-(4-nitrophenoxy)acetamide Formula: C28H27N5O5 MolecularWeight: 513.54448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)COC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC(=C(C=C3)N4CCCCC4)NC(=O)COC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H27N5O5/c1-31-28(35)23-8-4-3-7-22(23)27(30-31)19-9-14-25(32-15-5-2-6-16-32)24(17-19)29-26(34)18-38-21-12-10-20(11-13-21)33(36)37/h3-4,7-14,17H,2,5-6,15-16,18H2,1H3,(H,29,34)