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

Systemtic Name: (2E)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-9-[[4-(phenylmethyl)piperazin-1-yl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2E)-2-[amino(hydroxy)methylene]-9-[(4-benzylpiperazin-1-yl)methyl]-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]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-9-[[4-(phenylmethyl)-1-piperazinyl]methyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2E)-2-[amino(hydroxy)methylidene]-9-[(4-benzylpiperazin-1-yl)methyl]-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-[(4-benzylpiperazino)methyl]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C35H43N5O7 MolecularWeight: 645.74522

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O)O)CN5CCN(CC5)CC6=CC=CC=C6)N(C)C

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O)O)CN5CCN(CC5)CC6=CC=CC=C6)N(C)C

InChI

InChI=1S/C35H43N5O7/c1-37(2)24-16-21(18-40-12-10-39(11-13-40)17-19-8-6-5-7-9-19)29(41)26-22(24)14-20-15-23-28(38(3)4)31(43)27(34(36)46)33(45)35(23,47)32(44)25(20)30(26)42/h5-9,16,20,23,28,41-42,46-47H,10-15,17-18,36H2,1-4H3/b34-27+