(2E)-2-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-10,11,12a-tris(oxidanyl)-9-[[1-(phenylmethyl)piperidin-4-yl]amino]-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-[[1-(phenylmethyl)piperidin-4-yl]amino]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2E)-2-[amino(hydroxy)methylene]-9-[(1-benzyl-4-piperidyl)amino]-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-[[1-(phenylmethyl)-4-piperidinyl]amino]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2E)-2-[amino(hydroxy)methylidene]-9-[(1-benzylpiperidin-4-yl)amino]-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-[(1-benzyl-4-piperidyl)amino]-4,7-bis(dimethylamino)-10,11,12a-trihydroxy-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C35H43N5O7 MolecularWeight: 645.74522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NC5CCN(CC5)CC6=CC=CC=C6)O)C(=C3C(=O)C2(C(=O)C(=C(N)O)C1=O)O)O

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C(=C(C=C4N(C)C)NC5CCN(CC5)CC6=CC=CC=C6)O)C(=C3C(=O)C2(C(=O)/C(=C(\N)/O)/C1=O)O)O

InChI

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