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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

C1C[C@@H](CC(=O)C1)N2C3=CC=CC=C3N=N2

InChI

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