N3,N5-bis[4-(acridin-9-ylamino)butyl]-1-methyl-pyrazole-3,5-dicarboxamide

Systemtic Name: N3,N5-bis[4-(acridin-9-ylamino)butyl]-1-methyl-pyrazole-3,5-dicarboxamide Openeye Name: N3,N5-bis[4-(acridin-9-ylamino)butyl]-1-methyl-pyrazole-3,5-dicarboxamide CAS Name: N3,N5-bis[4-(9-acridinylamino)butyl]-1-methylpyrazole-3,5-dicarboxamide IUPAC Name: 3-N,5-N-bis[4-(acridin-9-ylamino)butyl]-1-methylpyrazole-3,5-dicarboxamide Traditional Name: N,N'-bis[4-(acridin-9-ylamino)butyl]-1-methyl-pyrazole-3,5-dicarboxamide Formula: C40H40N8O2 MolecularWeight: 664.798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)NCCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42)C(=O)NCCCCNC5=C6C=CC=CC6=NC7=CC=CC=C75

Isomeric SMILES

CN1C(=CC(=N1)C(=O)NCCCCNC2=C3C=CC=CC3=NC4=CC=CC=C42)C(=O)NCCCCNC5=C6C=CC=CC6=NC7=CC=CC=C75

InChI

InChI=1S/C40H40N8O2/c1-48-36(40(50)44-25-13-11-23-42-38-29-16-4-8-20-33(29)46-34-21-9-5-17-30(34)38)26-35(47-48)39(49)43-24-12-10-22-41-37-27-14-2-6-18-31(27)45-32-19-7-3-15-28(32)37/h2-9,14-21,26H,10-13,22-25H2,1H3,(H,41,45)(H,42,46)(H,43,49)(H,44,50)