4-oxidanyl-4-[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-oxidanyl-4-[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]cyclohexa-2,5-dien-1-one Openeye Name: 4-hydroxy-4-[1-(3-phenylpropyl)triazol-4-yl]cyclohexa-2,5-dien-1-one CAS Name: 4-hydroxy-4-[1-(3-phenylpropyl)-4-triazolyl]-1-cyclohexa-2,5-dienone IUPAC Name: 4-hydroxy-4-[1-(3-phenylpropyl)triazol-4-yl]cyclohexa-2,5-dien-1-one Traditional Name: 4-hydroxy-4-[1-(3-phenylpropyl)triazol-4-yl]cyclohexa-2,5-dien-1-one Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=C(N=N2)C3(C=CC(=O)C=C3)O

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=C(N=N2)C3(C=CC(=O)C=C3)O

InChI

InChI=1S/C17H17N3O2/c21-15-8-10-17(22,11-9-15)16-13-20(19-18-16)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,13,22H,4,7,12H2