3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]chromen-2-one

Systemtic Name: 3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]chromen-2-one Openeye Name: 3-[4-(4-pentylphenyl)triazol-1-yl]chromen-2-one CAS Name: 3-[4-(4-pentylphenyl)-1-triazolyl]-1-benzopyran-2-one IUPAC Name: 3-[4-(4-pentylphenyl)triazol-1-yl]chromen-2-one Traditional Name: 3-[4-(4-amylphenyl)triazol-1-yl]coumarin Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN(N=N2)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN(N=N2)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H21N3O2/c1-2-3-4-7-16-10-12-17(13-11-16)19-15-25(24-23-19)20-14-18-8-5-6-9-21(18)27-22(20)26/h5-6,8-15H,2-4,7H2,1H3