N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-(3-ethynylphenyl)-4-phenyl-2H-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-(3-ethynylphenyl)-4-phenyl-2H-1,2,3-triazole-4-carboxamide Openeye Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxamide CAS Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxamide IUPAC Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxamide Traditional Name: N-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-(3-ethynylphenyl)-4-phenyl-2H-triazole-4-carboxamide Formula: C29H25N5O3 MolecularWeight: 491.5405

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3(C=NNN3C4=CC=CC(=C4)C#C)C5=CC=CC=C5)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=O)C3(C=NNN3C4=CC=CC(=C4)C#C)C5=CC=CC=C5)O)C

InChI

InChI=1S/C29H25N5O3/c1-4-19-9-8-12-22(15-19)34-29(18-31-33-34,21-10-6-5-7-11-21)27(36)32-25-23-16-20(17-30)13-14-24(23)37-28(2,3)26(25)35/h1,5-16,18,25-26,33,35H,2-3H3,(H,32,36)