3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-pyrazin-2-yl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxidanylidene-ethyl)-2-pyrazin-2-yl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-(2-morpholino-2-oxo-ethyl)-2-pyrazin-2-yl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(4-morpholinyl)-2-oxoethyl]-2-(2-pyrazinyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-pyrazin-2-ylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-(2-keto-2-morpholino-ethyl)-2-pyrazin-2-yl-indole-6-carboxylic acid Formula: C25H28N4O4 MolecularWeight: 448.51422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=NC=CN=C5

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC(=O)N4CCOCC4)C5=NC=CN=C5

InChI

InChI=1S/C25H28N4O4/c30-22(28-10-12-33-13-11-28)16-29-21-14-18(25(31)32)6-7-19(21)23(17-4-2-1-3-5-17)24(29)20-15-26-8-9-27-20/h6-9,14-15,17H,1-5,10-13,16H2,(H,31,32)