sodium 3-[3-(1-adamantylamino)-3-oxidanylidene-prop-1-ynyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate

Systemtic Name: sodium 3-[3-(1-adamantylamino)-3-oxidanylidene-prop-1-ynyl]-4,6-bis(chloranyl)-1H-indole-2-carboxylate Openeye Name: sodium 3-[3-(1-adamantylamino)-3-oxo-prop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylate CAS Name: sodium 3-[3-(1-adamantylamino)-3-oxoprop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylate IUPAC Name: sodium 3-[3-(1-adamantylamino)-3-oxoprop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylate Traditional Name: sodium 3-[3-(1-adamantylamino)-3-keto-prop-1-ynyl]-4,6-dichloro-1H-indole-2-carboxylate Formula: C22H19Cl2N2NaO3 MolecularWeight: 453.29363

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C#CC4=C(NC5=CC(=CC(=C54)Cl)Cl)C(=O)[O-].[Na+]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C#CC4=C(NC5=CC(=CC(=C54)Cl)Cl)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H20Cl2N2O3.Na/c23-14-6-16(24)19-15(20(21(28)29)25-17(19)7-14)1-2-18(27)26-22-8-11-3-12(9-22)5-13(4-11)10-22;/h6-7,11-13,25H,3-5,8-10H2,(H,26,27)(H,28,29);/q;+1/p-1