4-[[2-[bis[2-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methylamino]ethyl]amino]ethylamino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide

Systemtic Name: 4-[[2-[bis[2-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methylamino]ethyl]amino]ethylamino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide Openeye Name: 4-[[2-[bis[2-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methylamino]ethyl]amino]ethylamino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide CAS Name: 4-[[2-[bis[2-[[4-[oxo-[2-(1,4,7-triazonan-1-yl)ethylamino]methyl]phenyl]methylamino]ethyl]amino]ethylamino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide IUPAC Name: 4-[[2-[bis[2-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]phenyl]methylamino]ethyl]amino]ethylamino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide Traditional Name: 4-[[2-[bis[2-[[4-[2-(1,4,7-triazonan-1-yl)ethylcarbamoyl]benzyl]amino]ethyl]amino]ethylamino]methyl]-N-[2-(1,4,7-triazonan-1-yl)ethyl]benzamide Formula: C54H90N16O3 MolecularWeight: 1011.3978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CCN1)CCNC(=O)C2=CC=C(C=C2)CNCCN(CCNCC3=CC=C(C=C3)C(=O)NCCN4CCNCCNCC4)CCNCC5=CC=C(C=C5)C(=O)NCCN6CCNCCNCC6

Isomeric SMILES

C1CNCCN(CCN1)CCNC(=O)C2=CC=C(C=C2)CNCCN(CCNCC3=CC=C(C=C3)C(=O)NCCN4CCNCCNCC4)CCNCC5=CC=C(C=C5)C(=O)NCCN6CCNCCNCC6

InChI

InChI=1S/C54H90N16O3/c71-52(64-28-40-68-31-19-55-13-14-56-20-32-68)49-7-1-46(2-8-49)43-61-25-37-67(38-26-62-44-47-3-9-50(10-4-47)53(72)65-29-41-69-33-21-57-15-16-58-22-34-69)39-27-63-45-48-5-11-51(12-6-48)54(73)66-30-42-70-35-23-59-17-18-60-24-36-70/h1-12,55-63H,13-45H2,(H,64,71)(H,65,72)(H,66,73)