(4S,4aS,5aR,12aS)-4-(dimethylamino)-7-[4-(dimethylaminomethyl)phenyl]-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide

Systemtic Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-7-[4-(dimethylaminomethyl)phenyl]-10,12a-bis(oxidanyl)-1,3,11,12-tetrakis(oxidanylidene)-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Openeye Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-7-[4-(dimethylaminomethyl)phenyl]-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide CAS Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-7-[4-(dimethylaminomethyl)phenyl]-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide IUPAC Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-7-[4-(dimethylaminomethyl)phenyl]-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Traditional Name: (4S,4aS,5aR,12aS)-4-(dimethylamino)-7-[4-(dimethylaminomethyl)phenyl]-10,12a-dihydroxy-1,3,11,12-tetraketo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Formula: C30H33N3O7 MolecularWeight: 547.59892

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)C2=C3CC4CC5C(C(=O)C(C(=O)C5(C(=O)C4C(=O)C3=C(C=C2)O)O)C(=O)N)N(C)C

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)C2=C3C[C@H]4C[C@H]5[C@@H](C(=O)C(C(=O)[C@]5(C(=O)C4C(=O)C3=C(C=C2)O)O)C(=O)N)N(C)C

InChI

InChI=1S/C30H33N3O7/c1-32(2)13-14-5-7-15(8-6-14)17-9-10-20(34)22-18(17)11-16-12-19-24(33(3)4)26(36)23(29(31)39)28(38)30(19,40)27(37)21(16)25(22)35/h5-10,16,19,21,23-24,34,40H,11-13H2,1-4H3,(H2,31,39)/t16-,19-,21?,23?,24-,30-/m0/s1