(3S)-3-(benzotriazol-1-yl)-4-(4-methylphenyl)butan-2-one

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-4-(4-methylphenyl)butan-2-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-4-(p-tolyl)butan-2-one CAS Name: (3S)-3-(1-benzotriazolyl)-4-(4-methylphenyl)-2-butanone IUPAC Name: (3S)-3-(benzotriazol-1-yl)-4-(4-methylphenyl)butan-2-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-4-(p-tolyl)butan-2-one Formula: C17H17N3O MolecularWeight: 279.33638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O/c1-12-7-9-14(10-8-12)11-17(13(2)21)20-16-6-4-3-5-15(16)18-19-20/h3-10,17H,11H2,1-2H3/t17-/m0/s1