(2E)-2-[azanyl(oxidanyl)methylidene]-9-[[3,5-bis(fluoranyl)phenyl]methylamino]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2E)-2-[azanyl(oxidanyl)methylidene]-9-[[3,5-bis(fluoranyl)phenyl]methylamino]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2E)-2-[amino(hydroxy)methylene]-9-[(3,5-difluorophenyl)methylamino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2E)-2-[amino(hydroxy)methylidene]-9-[(3,5-difluorophenyl)methylamino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2E)-2-[amino(hydroxy)methylidene]-9-[(3,5-difluorophenyl)methylamino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2E)-2-[amino(hydroxy)methylene]-9-[(3,5-difluorobenzyl)amino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C30H32F2N4O7 MolecularWeight: 598.594486

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NCC5=CC(=CC(=C5)F)F)O)C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NCC5=CC(=CC(=C5)F)F)O)C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O

InChI

InChI=1S/C30H32F2N4O7/c1-35(2)19-10-18(34-11-12-5-14(31)9-15(32)6-12)24(37)21-16(19)7-13-8-17-23(36(3)4)26(39)22(29(33)42)28(41)30(17,43)27(40)20(13)25(21)38/h5-6,9-10,13,17,23,34,37-38,42-43H,7-8,11,33H2,1-4H3/b29-22+