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

Systemtic Name: 2-methoxy-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-yl-phenyl]-5-nitro-benzamide Openeye Name: 2-methoxy-N-[5-(4-methoxyphthalazin-1-yl)-2-(1-piperidyl)phenyl]-5-nitro-benzamide CAS Name: 2-methoxy-N-[5-(4-methoxy-1-phthalazinyl)-2-(1-piperidinyl)phenyl]-5-nitrobenzamide IUPAC Name: 2-methoxy-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidin-1-ylphenyl]-5-nitrobenzamide Traditional Name: 2-methoxy-N-[5-(4-methoxyphthalazin-1-yl)-2-piperidino-phenyl]-5-nitro-benzamide Formula: C28H27N5O5 MolecularWeight: 513.54448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C3=NN=C(C4=CC=CC=C43)OC)N5CCCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C3=NN=C(C4=CC=CC=C43)OC)N5CCCCC5

InChI

InChI=1S/C28H27N5O5/c1-37-25-13-11-19(33(35)36)17-22(25)27(34)29-23-16-18(10-12-24(23)32-14-6-3-7-15-32)26-20-8-4-5-9-21(20)28(38-2)31-30-26/h4-5,8-13,16-17H,3,6-7,14-15H2,1-2H3,(H,29,34)