(2S)-2-(benzotriazol-1-yl)-1-(3-methylphenyl)pentan-3-one

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-1-(3-methylphenyl)pentan-3-one Openeye Name: (2S)-2-(benzotriazol-1-yl)-1-(m-tolyl)pentan-3-one CAS Name: (2S)-2-(1-benzotriazolyl)-1-(3-methylphenyl)-3-pentanone IUPAC Name: (2S)-2-(benzotriazol-1-yl)-1-(3-methylphenyl)pentan-3-one Traditional Name: (2S)-2-(benzotriazol-1-yl)-1-(m-tolyl)pentan-3-one Formula: C18H19N3O MolecularWeight: 293.36296

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1=CC=CC(=C1)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCC(=O)[C@H](CC1=CC=CC(=C1)C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H19N3O/c1-3-18(22)17(12-14-8-6-7-13(2)11-14)21-16-10-5-4-9-15(16)19-20-21/h4-11,17H,3,12H2,1-2H3/t17-/m0/s1