bis[1-(2-dimethylaminoethylcarbamoyl)-5,6,11-trimethyl-pyrido[4,3-b]carbazol-9-yl] hexanedioate

Systemtic Name: bis[1-(2-dimethylaminoethylcarbamoyl)-5,6,11-trimethyl-pyrido[4,3-b]carbazol-9-yl] hexanedioate Openeye Name: bis[1-(2-dimethylaminoethylcarbamoyl)-5,6,11-trimethyl-pyrido[4,3-b]carbazol-9-yl] hexanedioate CAS Name: hexanedioic acid bis[1-[(2-dimethylaminoethylamino)-oxomethyl]-5,6,11-trimethyl-9-pyrido[4,3-b]carbazolyl] ester IUPAC Name: bis[1-(2-dimethylaminoethylcarbamoyl)-5,6,11-trimethylpyrido[4,3-b]carbazol-9-yl] hexanedioate Traditional Name: adipic acid bis[1-(2-dimethylaminoethylcarbamoyl)-5,6,11-trimethyl-pyrido[4,3-b]carbazol-9-yl] ester Formula: C52H58N8O6 MolecularWeight: 891.06692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C3=C1C=CN=C3C(=O)NCCN(C)C)C)C4=C(N2C)C=CC(=C4)OC(=O)CCCCC(=O)OC5=CC6=C(C=C5)N(C7=C(C8=C(C(=C67)C)C(=NC=C8)C(=O)NCCN(C)C)C)C

Isomeric SMILES

CC1=C2C(=C(C3=C1C=CN=C3C(=O)NCCN(C)C)C)C4=C(N2C)C=CC(=C4)OC(=O)CCCCC(=O)OC5=CC6=C(C=C5)N(C7=C(C8=C(C(=C67)C)C(=NC=C8)C(=O)NCCN(C)C)C)C

InChI

InChI=1S/C52H58N8O6/c1-29-35-19-21-53-47(51(63)55-23-25-57(5)6)43(35)31(3)45-37-27-33(15-17-39(37)59(9)49(29)45)65-41(61)13-11-12-14-42(62)66-34-16-18-40-38(28-34)46-32(4)44-36(30(2)50(46)60(40)10)20-22-54-48(44)52(64)56-24-26-58(7)8/h15-22,27-28H,11-14,23-26H2,1-10H3,(H,55,63)(H,56,64)