N1,N3,N5-tris[3-(2-methyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)propyl]benzene-1,3,5-tricarboxamide

Systemtic Name: N1,N3,N5-tris[3-(2-methyl-4-oxidanylidene-3-phenylmethoxy-pyridin-1-yl)propyl]benzene-1,3,5-tricarboxamide Openeye Name: N1,N3,N5-tris[3-(3-benzyloxy-2-methyl-4-oxo-1-pyridyl)propyl]benzene-1,3,5-tricarboxamide CAS Name: N1,N3,N5-tris[3-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)propyl]benzene-1,3,5-tricarboxamide IUPAC Name: 1-N,3-N,5-N-tris[3-(2-methyl-4-oxo-3-phenylmethoxypyridin-1-yl)propyl]benzene-1,3,5-tricarboxamide Traditional Name: N1,N3,N5-tris[3-(3-benzoxy-4-keto-2-methyl-1-pyridyl)propyl]benzene-1,3,5-tricarboxamide Formula: C57H60N6O9 MolecularWeight: 973.1211

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=CN1CCCNC(=O)C2=CC(=CC(=C2)C(=O)NCCCN3C=CC(=O)C(=C3C)OCC4=CC=CC=C4)C(=O)NCCCN5C=CC(=O)C(=C5C)OCC6=CC=CC=C6)OCC7=CC=CC=C7

Isomeric SMILES

CC1=C(C(=O)C=CN1CCCNC(=O)C2=CC(=CC(=C2)C(=O)NCCCN3C=CC(=O)C(=C3C)OCC4=CC=CC=C4)C(=O)NCCCN5C=CC(=O)C(=C5C)OCC6=CC=CC=C6)OCC7=CC=CC=C7

InChI

InChI=1S/C57H60N6O9/c1-40-52(70-37-43-16-7-4-8-17-43)49(64)22-31-61(40)28-13-25-58-55(67)46-34-47(56(68)59-26-14-29-62-32-23-50(65)53(41(62)2)71-38-44-18-9-5-10-19-44)36-48(35-46)57(69)60-27-15-30-63-33-24-51(66)54(42(63)3)72-39-45-20-11-6-12-21-45/h4-12,16-24,31-36H,13-15,25-30,37-39H2,1-3H3,(H,58,67)(H,59,68)(H,60,69)