(3S)-3-(benzotriazol-2-yl)cyclohexan-1-one

Systemtic Name: (3S)-3-(benzotriazol-2-yl)cyclohexan-1-one Openeye Name: (3S)-3-(benzotriazol-2-yl)cyclohexanone CAS Name: (3S)-3-(2-benzotriazolyl)-1-cyclohexanone IUPAC Name: (3S)-3-(benzotriazol-2-yl)cyclohexan-1-one Traditional Name: (3S)-3-(benzotriazol-2-yl)cyclohexanone Formula: C12H13N3O MolecularWeight: 215.25112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)N2N=C3C=CC=CC3=N2

Isomeric SMILES

C1C[C@@H](CC(=O)C1)N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C12H13N3O/c16-10-5-3-4-9(8-10)15-13-11-6-1-2-7-12(11)14-15/h1-2,6-7,9H,3-5,8H2/t9-/m0/s1