(4S,4aS,5aR,12aS)-9-[2-(cyclohexen-1-yl)ethynyl]-4-(dimethylamino)-7-(4-dimethylaminophenyl)-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)-9-[2-(cyclohexen-1-yl)ethynyl]-4-(dimethylamino)-7-(4-dimethylaminophenyl)-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)-9-[2-(cyclohexen-1-yl)ethynyl]-4-(dimethylamino)-7-(4-dimethylaminophenyl)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide CAS Name: (4S,4aS,5aR,12aS)-9-[2-(1-cyclohexenyl)ethynyl]-4-(dimethylamino)-7-(4-dimethylaminophenyl)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide IUPAC Name: (4S,4aS,5aR,12aS)-9-[2-(cyclohexen-1-yl)ethynyl]-4-(dimethylamino)-7-(4-dimethylaminophenyl)-10,12a-dihydroxy-1,3,11,12-tetraoxo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Traditional Name: (4S,4aS,5aR,12aS)-9-[2-(cyclohexen-1-yl)ethynyl]-4-(dimethylamino)-7-(4-dimethylaminophenyl)-10,12a-dihydroxy-1,3,11,12-tetraketo-4,4a,5,5a,6,11a-hexahydrotetracene-2-carboxamide Formula: C37H39N3O7 MolecularWeight: 637.72146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=C(C(=C4C(=O)C3C(=O)C2(C(=O)C(C1=O)C(=O)N)O)O)C#CC5=CCCCC5)C6=CC=C(C=C6)N(C)C

Isomeric SMILES

CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=C(C(=C4C(=O)C3C(=O)[C@@]2(C(=O)C(C1=O)C(=O)N)O)O)C#CC5=CCCCC5)C6=CC=C(C=C6)N(C)C

InChI

InChI=1S/C37H39N3O7/c1-39(2)23-14-12-20(13-15-23)24-16-21(11-10-19-8-6-5-7-9-19)31(41)28-25(24)17-22-18-26-30(40(3)4)33(43)29(36(38)46)35(45)37(26,47)34(44)27(22)32(28)42/h8,12-16,22,26-27,29-30,41,47H,5-7,9,17-18H2,1-4H3,(H2,38,46)/t22-,26-,27?,29?,30-,37-/m0/s1