3-(acridin-9-ylamino)-N,N'-bis[7-(acridin-9-ylamino)heptyl]pentanediamide

Systemtic Name: 3-(acridin-9-ylamino)-N,N'-bis[7-(acridin-9-ylamino)heptyl]pentanediamide Openeye Name: 3-(acridin-9-ylamino)-N,N'-bis[7-(acridin-9-ylamino)heptyl]pentanediamide CAS Name: 3-(9-acridinylamino)-N,N'-bis[7-(9-acridinylamino)heptyl]pentanediamide IUPAC Name: 3-(acridin-9-ylamino)-N,N'-bis[7-(acridin-9-ylamino)heptyl]pentanediamide Traditional Name: 3-(acridin-9-ylamino)-N,N'-bis[7-(acridin-9-ylamino)heptyl]glutaramide Formula: C58H62N8O2 MolecularWeight: 903.16528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCCNC(=O)CC(CC(=O)NCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)NC7=C8C=CC=CC8=NC9=CC=CC=C97

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCCNC(=O)CC(CC(=O)NCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)NC7=C8C=CC=CC8=NC9=CC=CC=C97

InChI

InChI=1S/C58H62N8O2/c67-54(59-35-19-3-1-5-21-37-61-56-42-23-7-13-29-48(42)64-49-30-14-8-24-43(49)56)39-41(63-58-46-27-11-17-33-52(46)66-53-34-18-12-28-47(53)58)40-55(68)60-36-20-4-2-6-22-38-62-57-44-25-9-15-31-50(44)65-51-32-16-10-26-45(51)57/h7-18,23-34,41H,1-6,19-22,35-40H2,(H,59,67)(H,60,68)(H,61,64)(H,62,65)(H,63,66)