3-[(6aS,8Z,10S,10aS,11aR)-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]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide

Systemtic Name: 3-[(6aS,8Z,10S,10aS,11aR)-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]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide Openeye Name: 3-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-(diisopropylamino)ethyl]benzamide CAS Name: 3-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide IUPAC Name: 3-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylidene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-trioxo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-[di(propan-2-yl)amino]ethyl]benzamide Traditional Name: 3-[(6aS,8Z,10S,10aS,11aR)-8-[amino(hydroxy)methylene]-10-(dimethylamino)-4,5,6a-trihydroxy-6,7,9-triketo-10a,11,11a,12-tetrahydro-10H-tetracen-1-yl]-N-[2-(diisopropylamino)ethyl]benzamide Formula: C36H44N4O8 MolecularWeight: 660.75656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCNC(=O)C1=CC=CC(=C1)C2=C3CC4CC5C(C(=O)C(=C(N)O)C(=O)C5(C(=O)C4=C(C3=C(C=C2)O)O)O)N(C)C)C(C)C

Isomeric SMILES

CC(C)N(CCNC(=O)C1=CC=CC(=C1)C2=C3C[C@H]4C[C@H]5[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]5(C(=O)C4=C(C3=C(C=C2)O)O)O)N(C)C)C(C)C

InChI

InChI=1S/C36H44N4O8/c1-17(2)40(18(3)4)13-12-38-35(47)20-9-7-8-19(14-20)22-10-11-25(41)27-23(22)15-21-16-24-29(39(5)6)31(43)28(34(37)46)33(45)36(24,48)32(44)26(21)30(27)42/h7-11,14,17-18,21,24,29,41-42,46,48H,12-13,15-16,37H2,1-6H3,(H,38,47)/b34-28-/t21-,24-,29-,36-/m0/s1