N1,N3,N5-tris[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3,5-tricarboxamide

Systemtic Name: N1,N3,N5-tris[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3,5-tricarboxamide Openeye Name: N1,N3,N5-tris[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3,5-tricarboxamide CAS Name: N1,N3,N5-tris[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3,5-tricarboxamide IUPAC Name: 1-N,3-N,5-N-tris[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3,5-tricarboxamide Traditional Name: N1,N3,N5-tris[3-(2-imidazolin-2-yl)phenyl]benzene-1,3,5-tricarboxamide Formula: C36H33N9O3 MolecularWeight: 639.70572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC=CC(=C4)C5=NCCN5)C(=O)NC6=CC=CC(=C6)C7=NCCN7

Isomeric SMILES

C1CN=C(N1)C2=CC(=CC=C2)NC(=O)C3=CC(=CC(=C3)C(=O)NC4=CC=CC(=C4)C5=NCCN5)C(=O)NC6=CC=CC(=C6)C7=NCCN7

InChI

InChI=1S/C36H33N9O3/c46-34(43-28-7-1-4-22(19-28)31-37-10-11-38-31)25-16-26(35(47)44-29-8-2-5-23(20-29)32-39-12-13-40-32)18-27(17-25)36(48)45-30-9-3-6-24(21-30)33-41-14-15-42-33/h1-9,16-21H,10-15H2,(H,37,38)(H,39,40)(H,41,42)(H,43,46)(H,44,47)(H,45,48)