sodium 5-cyano-1-(1-cyano-1H-isoquinolin-2-yl)-4-isoquinolin-1-ylcarbonyl-3-methyl-hex-1-en-1-olate

Systemtic Name: sodium 5-cyano-1-(1-cyano-1H-isoquinolin-2-yl)-4-isoquinolin-1-ylcarbonyl-3-methyl-hex-1-en-1-olate Openeye Name: sodium 5-cyano-1-(1-cyano-1H-isoquinolin-2-yl)-4-(isoquinoline-1-carbonyl)-3-methyl-hex-1-en-1-olate CAS Name: sodium 5-cyano-1-(1-cyano-1H-isoquinolin-2-yl)-4-[1-isoquinolinyl(oxo)methyl]-3-methyl-1-hexen-1-olate IUPAC Name: sodium 5-cyano-1-(1-cyano-1H-isoquinolin-2-yl)-4-(isoquinoline-1-carbonyl)-3-methylhex-1-en-1-olate Traditional Name: sodium 5-cyano-1-(1-cyano-1H-isoquinolin-2-yl)-4-(isoquinoline-1-carbonyl)-3-methyl-hex-1-en-1-olate Formula: C28H23N4NaO2 MolecularWeight: 470.49759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(N1C=CC2=CC=CC=C2C1C#N)[O-])C(C(C)C#N)C(=O)C3=NC=CC4=CC=CC=C43.[Na+]

Isomeric SMILES

CC(C=C(N1C=CC2=CC=CC=C2C1C#N)[O-])C(C(C)C#N)C(=O)C3=NC=CC4=CC=CC=C43.[Na+]

InChI

InChI=1S/C28H24N4O2.Na/c1-18(15-25(33)32-14-12-21-8-3-5-9-22(21)24(32)17-30)26(19(2)16-29)28(34)27-23-10-6-4-7-20(23)11-13-31-27;/h3-15,18-19,24,26,33H,1-2H3;/q;+1/p-1