N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-2-oxidanylidene-chromene-3-carboxamide

Systemtic Name: N-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]-2-oxidanylidene-chromene-3-carboxamide Openeye Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-2-oxo-chromene-3-carboxamide CAS Name: N-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-2-oxo-1-benzopyran-3-carboxamide IUPAC Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-2-oxochromene-3-carboxamide Traditional Name: N-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]-2-keto-chromene-3-carboxamide Formula: C28H26N4O3 MolecularWeight: 466.53104

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C6=CC7=CC=CC=C7OC6=O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)NC(=O)C6=CC7=CC=CC=C7OC6=O

InChI

InChI=1S/C28H26N4O3/c33-26(23-12-20-3-1-2-4-24(20)35-27(23)34)30-21-5-7-22(8-6-21)32-25(16-29-31-32)28-13-17-9-18(14-28)11-19(10-17)15-28/h1-8,12,16-19H,9-11,13-15H2,(H,30,33)