3-(acridin-9-ylamino)-N,N'-bis[2-(acridin-9-ylamino)ethyl]pentanediamide

Systemtic Name: 3-(acridin-9-ylamino)-N,N'-bis[2-(acridin-9-ylamino)ethyl]pentanediamide Openeye Name: 3-(acridin-9-ylamino)-N,N'-bis[2-(acridin-9-ylamino)ethyl]pentanediamide CAS Name: 3-(9-acridinylamino)-N,N'-bis[2-(9-acridinylamino)ethyl]pentanediamide IUPAC Name: 3-(acridin-9-ylamino)-N,N'-bis[2-(acridin-9-ylamino)ethyl]pentanediamide Traditional Name: 3-(acridin-9-ylamino)-N,N'-bis[2-(acridin-9-ylamino)ethyl]glutaramide Formula: C48H42N8O2 MolecularWeight: 762.89948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCNC(=O)CC(CC(=O)NCCNC4=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)NCCNC(=O)CC(CC(=O)NCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)NC7=C8C=CC=CC8=NC9=CC=CC=C97

InChI

InChI=1S/C48H42N8O2/c57-44(49-25-27-51-46-32-13-1-7-19-38(32)54-39-20-8-2-14-33(39)46)29-31(53-48-36-17-5-11-23-42(36)56-43-24-12-6-18-37(43)48)30-45(58)50-26-28-52-47-34-15-3-9-21-40(34)55-41-22-10-4-16-35(41)47/h1-24,31H,25-30H2,(H,49,57)(H,50,58)(H,51,54)(H,52,55)(H,53,56)