4-[7-(3,3-dimethylbut-1-ynyl)naphthalen-1-yl]-5-methoxy-2-methyl-1,2,4-triazol-3-one

Systemtic Name: 4-[7-(3,3-dimethylbut-1-ynyl)naphthalen-1-yl]-5-methoxy-2-methyl-1,2,4-triazol-3-one Openeye Name: 4-[7-(3,3-dimethylbut-1-ynyl)-1-naphthyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one CAS Name: 4-[7-(3,3-dimethylbut-1-ynyl)-1-naphthalenyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one IUPAC Name: 4-[7-(3,3-dimethylbut-1-ynyl)naphthalen-1-yl]-5-methoxy-2-methyl-1,2,4-triazol-3-one Traditional Name: 4-[7-(3,3-dimethylbut-1-ynyl)-1-naphthyl]-5-methoxy-2-methyl-1,2,4-triazol-3-one Formula: C20H21N3O2 MolecularWeight: 335.39964

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=CC2=C(C=CC=C2N3C(=NN(C3=O)C)OC)C=C1

Isomeric SMILES

CC(C)(C)C#CC1=CC2=C(C=CC=C2N3C(=NN(C3=O)C)OC)C=C1

InChI

InChI=1S/C20H21N3O2/c1-20(2,3)12-11-14-9-10-15-7-6-8-17(16(15)13-14)23-18(25-5)21-22(4)19(23)24/h6-10,13H,1-5H3