(2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[3-[(3,5-dimethylpiperidin-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-[3-[(3,5-dimethylpiperidin-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-[3-[(3,5-dimethyl-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-[3-[(3,5-dimethyl-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-[3-[(3,5-dimethylpiperidin-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-[3-[(3,5-dimethylpiperidino)methyl]phenyl]-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C35H41N3O7 MolecularWeight: 615.71594

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC2=CC=CC(=C2)C3=C4CC5CC6C(C(=O)C(=C(N)O)C(=O)C6(C(=O)C5=C(C4=C(C=C3)O)O)O)N(C)C)C

Isomeric SMILES

CC1CC(CN(C1)CC2=CC=CC(=C2)C3=C4C[C@H]5C[C@H]6[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]6(C(=O)C5=C(C4=C(C=C3)O)O)O)N(C)C)C

InChI

InChI=1S/C35H41N3O7/c1-17-10-18(2)15-38(14-17)16-19-6-5-7-20(11-19)22-8-9-25(39)27-23(22)12-21-13-24-29(37(3)4)31(41)28(34(36)44)33(43)35(24,45)32(42)26(21)30(27)40/h5-9,11,17-18,21,24,29,39-40,44-45H,10,12-16,36H2,1-4H3/b34-28-/t17?,18?,21-,24-,29-,35-/m0/s1