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

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-1,4-diphenyl-butan-2-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-1,4-diphenyl-butan-2-one CAS Name: (3S)-3-(1-benzotriazolyl)-1,4-diphenyl-2-butanone IUPAC Name: (3S)-3-(benzotriazol-1-yl)-1,4-diphenylbutan-2-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-1,4-diphenyl-butan-2-one Formula: C22H19N3O MolecularWeight: 341.40576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)CC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)CC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H19N3O/c26-22(16-18-11-5-2-6-12-18)21(15-17-9-3-1-4-10-17)25-20-14-8-7-13-19(20)23-24-25/h1-14,21H,15-16H2/t21-/m0/s1