4-phenyl-1-(3-phenyl-1,2,4-triazol-1-yl)butan-2-one

Systemtic Name: 4-phenyl-1-(3-phenyl-1,2,4-triazol-1-yl)butan-2-one Openeye Name: 4-phenyl-1-(3-phenyl-1,2,4-triazol-1-yl)butan-2-one CAS Name: 4-phenyl-1-(3-phenyl-1,2,4-triazol-1-yl)-2-butanone IUPAC Name: 4-phenyl-1-(3-phenyl-1,2,4-triazol-1-yl)butan-2-one Traditional Name: 4-phenyl-1-(3-phenyl-1,2,4-triazol-1-yl)butan-2-one Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)CN2C=NC(=N2)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)CN2C=NC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O/c22-17(12-11-15-7-3-1-4-8-15)13-21-14-19-18(20-21)16-9-5-2-6-10-16/h1-10,14H,11-13H2