1-[4-[(8Z)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea

Systemtic Name: 1-[4-[(8Z)-8-[azanyl(oxidanyl)methylidene]-10-(dimethylamino)-4,5,6a-tris(oxidanyl)-6,7,9-tris(oxidanylidene)-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-[4-(trifluoromethyloxy)phenyl]urea Openeye Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea CAS Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea IUPAC Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea Traditional Name: 1-[4-[(8Z)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-triketo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea Formula: C35H31F3N4O9 MolecularWeight: 708.63725

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)C5=CC=C(C=C5)NC(=O)NC6=CC=C(C=C6)OC(F)(F)F

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C5=CC=C(C=C5)NC(=O)NC6=CC=C(C=C6)OC(F)(F)F

InChI

InChI=1S/C35H31F3N4O9/c1-42(2)27-22-14-16-13-21-20(15-3-5-17(6-4-15)40-33(49)41-18-7-9-19(10-8-18)51-35(36,37)38)11-12-23(43)25(21)28(44)24(16)30(46)34(22,50)31(47)26(29(27)45)32(39)48/h3-12,16,22,27,43-44,48,50H,13-14,39H2,1-2H3,(H2,40,41,49)/b32-26-