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

Systemtic Name: 6-bromanyl-3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]chromen-2-one Openeye Name: 6-bromo-3-[4-(4-pentylphenyl)triazol-1-yl]chromen-2-one CAS Name: 6-bromo-3-[4-(4-pentylphenyl)-1-triazolyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-[4-(4-pentylphenyl)triazol-1-yl]chromen-2-one Traditional Name: 3-[4-(4-amylphenyl)triazol-1-yl]-6-bromo-coumarin Formula: C22H20BrN3O2 MolecularWeight: 438.3171

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CN(N=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CN(N=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C22H20BrN3O2/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-26(25-24-19)20-13-17-12-18(23)10-11-21(17)28-22(20)27/h6-14H,2-5H2,1H3