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

Systemtic Name: 3-(acridin-9-ylamino)-N,N'-bis[3-(acridin-9-ylamino)propyl]pentanediamide Openeye Name: 3-(acridin-9-ylamino)-N,N'-bis[3-(acridin-9-ylamino)propyl]pentanediamide CAS Name: 3-(9-acridinylamino)-N,N'-bis[3-(9-acridinylamino)propyl]pentanediamide IUPAC Name: 3-(acridin-9-ylamino)-N,N'-bis[3-(acridin-9-ylamino)propyl]pentanediamide Traditional Name: 3-(acridin-9-ylamino)-N,N'-bis[3-(acridin-9-ylamino)propyl]glutaramide Formula: C50H46N8O2 MolecularWeight: 790.95264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCNC(=O)CC(CC(=O)NCCCNC4=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)NCCCNC(=O)CC(CC(=O)NCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)NC7=C8C=CC=CC8=NC9=CC=CC=C97

InChI

InChI=1S/C50H46N8O2/c59-46(51-27-13-29-53-48-34-15-1-7-21-40(34)56-41-22-8-2-16-35(41)48)31-33(55-50-38-19-5-11-25-44(38)58-45-26-12-6-20-39(45)50)32-47(60)52-28-14-30-54-49-36-17-3-9-23-42(36)57-43-24-10-4-18-37(43)49/h1-12,15-26,33H,13-14,27-32H2,(H,51,59)(H,52,60)(H,53,56)(H,54,57)(H,55,58)