13-cyclohexyl-3-methoxy-6-(6-morpholin-4-ylpyridazin-3-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-3-methoxy-6-(6-morpholin-4-ylpyridazin-3-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-3-methoxy-6-(6-morpholinopyridazin-3-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-3-methoxy-6-[6-(4-morpholinyl)-3-pyridazinyl]-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-3-methoxy-6-(6-morpholin-4-ylpyridazin-3-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-3-methoxy-6-(6-morpholinopyridazin-3-yl)-7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid Formula: C33H34N4O4 MolecularWeight: 550.64746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C5=NN=C(C=C5)N6CCOCC6)C=C(C=C4)C(=O)O)C7CCCCC7

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(C4=C(N3CC(=C2)C5=NN=C(C=C5)N6CCOCC6)C=C(C=C4)C(=O)O)C7CCCCC7

InChI

InChI=1S/C33H34N4O4/c1-40-25-8-10-26-23(18-25)17-24(28-11-12-30(35-34-28)36-13-15-41-16-14-36)20-37-29-19-22(33(38)39)7-9-27(29)31(32(26)37)21-5-3-2-4-6-21/h7-12,17-19,21H,2-6,13-16,20H2,1H3,(H,38,39)