(2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[4-[(4-fluoranylpiperidin-1-yl)methyl]phenyl]-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[4-[(4-fluoranylpiperidin-1-yl)methyl]phenyl]-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-7-[4-[(4-fluoro-1-piperidyl)methyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-7-[4-[(4-fluoro-1-piperidinyl)methyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-7-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-7-[4-[(4-fluoropiperidino)methyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C33H36FN3O7 MolecularWeight: 605.653243

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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)CN6CCC(CC6)F

Isomeric SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)O)C5=CC=C(C=C5)CN6CCC(CC6)F

InChI

InChI=1S/C33H36FN3O7/c1-36(2)27-22-14-18-13-21-20(17-5-3-16(4-6-17)15-37-11-9-19(34)10-12-37)7-8-23(38)25(21)28(39)24(18)30(41)33(22,44)31(42)26(29(27)40)32(35)43/h3-8,18-19,22,27,38-39,43-44H,9-15,35H2,1-2H3/b32-26-/t18-,22-,27-,33-/m0/s1