N1,N3,N5-tris[1-(phenylmethyl)piperidin-4-yl]benzene-1,3,5-tricarboxamide

Systemtic Name: N1,N3,N5-tris[1-(phenylmethyl)piperidin-4-yl]benzene-1,3,5-tricarboxamide Openeye Name: N1,N3,N5-tris(1-benzyl-4-piperidyl)benzene-1,3,5-tricarboxamide CAS Name: N1,N3,N5-tris[1-(phenylmethyl)-4-piperidinyl]benzene-1,3,5-tricarboxamide IUPAC Name: 1-N,3-N,5-N-tris(1-benzylpiperidin-4-yl)benzene-1,3,5-tricarboxamide Traditional Name: N1,N3,N5-tris(1-benzyl-4-piperidyl)benzene-1,3,5-tricarboxamide Formula: C45H54N6O3 MolecularWeight: 726.94866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)C2=CC(=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6)CC7=CC=CC=C7

Isomeric SMILES

C1CN(CCC1NC(=O)C2=CC(=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6)CC7=CC=CC=C7

InChI

InChI=1S/C45H54N6O3/c52-43(46-40-16-22-49(23-17-40)31-34-10-4-1-5-11-34)37-28-38(44(53)47-41-18-24-50(25-19-41)32-35-12-6-2-7-13-35)30-39(29-37)45(54)48-42-20-26-51(27-21-42)33-36-14-8-3-9-15-36/h1-15,28-30,40-42H,16-27,31-33H2,(H,46,52)(H,47,53)(H,48,54)