3-(acridin-9-ylamino)-N,N'-bis[4-(acridin-9-ylamino)butyl]pentanediamide

Systemtic Name: 3-(acridin-9-ylamino)-N,N'-bis[4-(acridin-9-ylamino)butyl]pentanediamide Openeye Name: 3-(acridin-9-ylamino)-N,N'-bis[4-(acridin-9-ylamino)butyl]pentanediamide CAS Name: 3-(9-acridinylamino)-N,N'-bis[4-(9-acridinylamino)butyl]pentanediamide IUPAC Name: 3-(acridin-9-ylamino)-N,N'-bis[4-(acridin-9-ylamino)butyl]pentanediamide Traditional Name: 3-(acridin-9-ylamino)-N,N'-bis[4-(acridin-9-ylamino)butyl]glutaramide Formula: C52H50N8O2 MolecularWeight: 819.0058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCNC(=O)CC(CC(=O)NCCCCNC4=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)NCCCCNC(=O)CC(CC(=O)NCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)NC7=C8C=CC=CC8=NC9=CC=CC=C97

InChI

InChI=1S/C52H50N8O2/c61-48(53-29-13-15-31-55-50-36-17-1-7-23-42(36)58-43-24-8-2-18-37(43)50)33-35(57-52-40-21-5-11-27-46(40)60-47-28-12-6-22-41(47)52)34-49(62)54-30-14-16-32-56-51-38-19-3-9-25-44(38)59-45-26-10-4-20-39(45)51/h1-12,17-28,35H,13-16,29-34H2,(H,53,61)(H,54,62)(H,55,58)(H,56,59)(H,57,60)