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

Systemtic Name: N,N'-bis[3-(acridin-9-ylamino)propyl]-3-azanyl-pentanediamide hydrochloride Openeye Name: N,N'-bis[3-(acridin-9-ylamino)propyl]-3-amino-pentanediamide hydrochloride CAS Name: N,N'-bis[3-(9-acridinylamino)propyl]-3-aminopentanediamide hydrochloride IUPAC Name: N,N'-bis[3-(acridin-9-ylamino)propyl]-3-aminopentanediamide hydrochloride Traditional Name: N,N'-bis[3-(acridin-9-ylamino)propyl]-3-amino-glutaramide hydrochloride Formula: C37H40ClN7O2 MolecularWeight: 650.2122

Click to see the large picture

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)N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCNC(=O)CC(CC(=O)NCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64)N.Cl

InChI

InChI=1S/C37H39N7O2.ClH/c38-25(23-34(45)39-19-9-21-41-36-26-11-1-5-15-30(26)43-31-16-6-2-12-27(31)36)24-35(46)40-20-10-22-42-37-28-13-3-7-17-32(28)44-33-18-8-4-14-29(33)37;/h1-8,11-18,25H,9-10,19-24,38H2,(H,39,45)(H,40,46)(H,41,43)(H,42,44);1H