N4,N5-bis[4-[3-(cyclohexylamino)propanoylamino]phenyl]-9-oxidanylidene-10H-acridine-4,5-dicarboxamide

Systemtic Name: N4,N5-bis[4-[3-(cyclohexylamino)propanoylamino]phenyl]-9-oxidanylidene-10H-acridine-4,5-dicarboxamide Openeye Name: N4,N5-bis[4-[3-(cyclohexylamino)propanoylamino]phenyl]-9-oxo-10H-acridine-4,5-dicarboxamide CAS Name: N4,N5-bis[4-[[3-(cyclohexylamino)-1-oxopropyl]amino]phenyl]-9-oxo-10H-acridine-4,5-dicarboxamide IUPAC Name: 4-N,5-N-bis[4-[3-(cyclohexylamino)propanoylamino]phenyl]-9-oxo-10H-acridine-4,5-dicarboxamide Traditional Name: N,N'-bis[4-[3-(cyclohexylamino)propanoylamino]phenyl]-9-keto-10H-acridine-4,5-dicarboxamide Formula: C45H51N7O5 MolecularWeight: 769.93034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=C(C4=O)C=CC=C5C(=O)NC6=CC=C(C=C6)NC(=O)CCNC7CCCCC7

Isomeric SMILES

C1CCC(CC1)NCCC(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=C(C4=O)C=CC=C5C(=O)NC6=CC=C(C=C6)NC(=O)CCNC7CCCCC7

InChI

InChI=1S/C45H51N7O5/c53-39(25-27-46-29-9-3-1-4-10-29)48-31-17-21-33(22-18-31)50-44(56)37-15-7-13-35-41(37)52-42-36(43(35)55)14-8-16-38(42)45(57)51-34-23-19-32(20-24-34)49-40(54)26-28-47-30-11-5-2-6-12-30/h7-8,13-24,29-30,46-47H,1-6,9-12,25-28H2,(H,48,53)(H,49,54)(H,50,56)(H,51,57)(H,52,55)