(2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)pent-4-en-1-one

Systemtic Name: (2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)pent-4-en-1-one Openeye Name: (2S)-2-(benzotriazol-1-yl)-1-(p-tolyl)pent-4-en-1-one CAS Name: (2S)-2-(1-benzotriazolyl)-1-(4-methylphenyl)-4-penten-1-one IUPAC Name: (2S)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)pent-4-en-1-one Traditional Name: (2S)-2-(benzotriazol-1-yl)-1-(p-tolyl)pent-4-en-1-one Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O/c1-3-6-17(18(22)14-11-9-13(2)10-12-14)21-16-8-5-4-7-15(16)19-20-21/h3-5,7-12,17H,1,6H2,2H3/t17-/m0/s1