7-tert-butyl-1-[3-[3-[(7-tert-butyl-4-nitro-9-oxidanylidene-10H-acridin-1-yl)amino]propyl-methyl-amino]propylamino]-4-nitro-10H-acridin-9-one

Systemtic Name: 7-tert-butyl-1-[3-[3-[(7-tert-butyl-4-nitro-9-oxidanylidene-10H-acridin-1-yl)amino]propyl-methyl-amino]propylamino]-4-nitro-10H-acridin-9-one Openeye Name: 7-tert-butyl-1-[3-[3-[(7-tert-butyl-4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl-methyl-amino]propylamino]-4-nitro-10H-acridin-9-one CAS Name: 7-tert-butyl-1-[3-[3-[(7-tert-butyl-4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl-methylamino]propylamino]-4-nitro-10H-acridin-9-one IUPAC Name: 7-tert-butyl-1-[3-[3-[(7-tert-butyl-4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl-methylamino]propylamino]-4-nitro-10H-acridin-9-one Traditional Name: 7-tert-butyl-1-[3-[3-[(7-tert-butyl-9-keto-4-nitro-10H-acridin-1-yl)amino]propyl-methyl-amino]propylamino]-4-nitro-10H-acridin-9-one Formula: C41H47N7O6 MolecularWeight: 733.85518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)NC3=C(C=CC(=C3C2=O)NCCCN(C)CCCNC4=C5C(=C(C=C4)[N+](=O)[O-])NC6=C(C5=O)C=C(C=C6)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)NC3=C(C=CC(=C3C2=O)NCCCN(C)CCCNC4=C5C(=C(C=C4)[N+](=O)[O-])NC6=C(C5=O)C=C(C=C6)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C41H47N7O6/c1-40(2,3)24-10-12-28-26(22-24)38(49)34-30(14-16-32(47(51)52)36(34)44-28)42-18-8-20-46(7)21-9-19-43-31-15-17-33(48(53)54)37-35(31)39(50)27-23-25(41(4,5)6)11-13-29(27)45-37/h10-17,22-23,42-43H,8-9,18-21H2,1-7H3,(H,44,49)(H,45,50)