methyl (1R,3S)-1-(4-chlorophenyl)-2-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl (1R,3S)-1-(4-chlorophenyl)-2-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl (1R,3S)-1-(4-chlorophenyl)-2-(4,6-dimorpholino-1,3,5-triazin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: (1R,3S)-2-[4,6-bis(4-morpholinyl)-1,3,5-triazin-2-yl]-1-(4-chlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-1-(4-chlorophenyl)-2-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: (1R,3S)-1-(4-chlorophenyl)-2-(4,6-dimorpholino-s-triazin-2-yl)-1,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C30H32ClN7O4 MolecularWeight: 590.07258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C(N1C3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5)C6=CC=C(C=C6)Cl)NC7=CC=CC=C27

Isomeric SMILES

COC(=O)[C@@H]1CC2=C([C@H](N1C3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5)C6=CC=C(C=C6)Cl)NC7=CC=CC=C27

InChI

InChI=1S/C30H32ClN7O4/c1-40-27(39)24-18-22-21-4-2-3-5-23(21)32-25(22)26(19-6-8-20(31)9-7-19)38(24)30-34-28(36-10-14-41-15-11-36)33-29(35-30)37-12-16-42-17-13-37/h2-9,24,26,32H,10-18H2,1H3/t24-,26+/m0/s1