3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-pyrazin-2-yl-indole-6-carboxylic acid

Systemtic Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxidanylidene-ethyl]-2-pyrazin-2-yl-indole-6-carboxylic acid Openeye Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxo-ethyl]-2-pyrazin-2-yl-indole-6-carboxylic acid CAS Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-(2-pyrazinyl)-6-indolecarboxylic acid IUPAC Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-oxoethyl]-2-pyrazin-2-ylindole-6-carboxylic acid Traditional Name: 3-cyclohexyl-1-[2-(dimethylamino)-2-keto-ethyl]-2-pyrazin-2-yl-indole-6-carboxylic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=CN=C3)C4CCCCC4

Isomeric SMILES

CN(C)C(=O)CN1C2=C(C=CC(=C2)C(=O)O)C(=C1C3=NC=CN=C3)C4CCCCC4

InChI

InChI=1S/C23H26N4O3/c1-26(2)20(28)14-27-19-12-16(23(29)30)8-9-17(19)21(15-6-4-3-5-7-15)22(27)18-13-24-10-11-25-18/h8-13,15H,3-7,14H2,1-2H3,(H,29,30)