3-(1-adamantyl)-3-oxidanylidene-2-quinolin-2-yl-propanenitrile

Systemtic Name: 3-(1-adamantyl)-3-oxidanylidene-2-quinolin-2-yl-propanenitrile Openeye Name: 3-(1-adamantyl)-3-oxo-2-(2-quinolyl)propanenitrile CAS Name: 3-(1-adamantyl)-3-oxo-2-(2-quinolinyl)propanenitrile IUPAC Name: 3-(1-adamantyl)-3-oxo-2-quinolin-2-ylpropanenitrile Traditional Name: 3-(1-adamantyl)-3-keto-2-(2-quinolyl)propionitrile Formula: C22H22N2O MolecularWeight: 330.42288

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C(C#N)C4=NC5=CC=CC=C5C=C4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)C(C#N)C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C22H22N2O/c23-13-18(20-6-5-17-3-1-2-4-19(17)24-20)21(25)22-10-14-7-15(11-22)9-16(8-14)12-22/h1-6,14-16,18H,7-12H2