1,4,7,10-tetrakis(1-phenylethyl)-1,4,7,10-tetrazacyclododecane

Systemtic Name: 1,4,7,10-tetrakis(1-phenylethyl)-1,4,7,10-tetrazacyclododecane Openeye Name: 1,4,7,10-tetrakis(1-phenylethyl)-1,4,7,10-tetrazacyclododecane CAS Name: 1,4,7,10-tetrakis(1-phenylethyl)-1,4,7,10-tetrazacyclododecane IUPAC Name: 1,4,7,10-tetrakis(1-phenylethyl)-1,4,7,10-tetrazacyclododecane Traditional Name: 1,4,7,10-tetrakis(1-phenylethyl)-1,4,7,10-tetrazacyclododecane Formula: C40H52N4 MolecularWeight: 588.86768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2CCN(CCN(CCN(CC2)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5

Isomeric SMILES

CC(C1=CC=CC=C1)N2CCN(CCN(CCN(CC2)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5

InChI

InChI=1S/C40H52N4/c1-33(37-17-9-5-10-18-37)41-25-27-42(34(2)38-19-11-6-12-20-38)29-31-44(36(4)40-23-15-8-16-24-40)32-30-43(28-26-41)35(3)39-21-13-7-14-22-39/h5-24,33-36H,25-32H2,1-4H3