N-[[(9E)-9-[azanyl(oxidanyl)methylidene]-4-(4-tert-butylphenyl)-7-(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]cyclopropanecarboxamide

Systemtic Name: N-[[(9E)-9-[azanyl(oxidanyl)methylidene]-4-(4-tert-butylphenyl)-7-(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]cyclopropanecarboxamide Openeye Name: N-[[(9E)-9-[amino(hydroxy)methylene]-4-(4-tert-butylphenyl)-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]cyclopropanecarboxamide CAS Name: N-[[(9E)-9-[amino(hydroxy)methylidene]-4-(4-tert-butylphenyl)-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]cyclopropanecarboxamide IUPAC Name: N-[[(9E)-9-[amino(hydroxy)methylidene]-4-(4-tert-butylphenyl)-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]cyclopropanecarboxamide Traditional Name: N-[[(9E)-9-[amino(hydroxy)methylene]-4-(4-tert-butylphenyl)-7-(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]methyl]cyclopropanecarboxamide Formula: C36H41N3O8 MolecularWeight: 643.72604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C3=C2CC4CC5C(C(=O)C(=C(N)O)C(=O)C5(C(=O)C4=C3O)O)N(C)C)O)CNC(=O)C6CC6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC(=C(C3=C2CC4CC5C(C(=O)/C(=C(/N)\O)/C(=O)C5(C(=O)C4=C3O)O)N(C)C)O)CNC(=O)C6CC6

InChI

InChI=1S/C36H41N3O8/c1-35(2,3)20-10-8-16(9-11-20)21-13-19(15-38-34(46)17-6-7-17)28(40)25-22(21)12-18-14-23-27(39(4)5)30(42)26(33(37)45)32(44)36(23,47)31(43)24(18)29(25)41/h8-11,13,17-18,23,27,40-41,45,47H,6-7,12,14-15,37H2,1-5H3,(H,38,46)/b33-26+