(2S)-2-[(R)-benzotriazol-1-yl(pyridin-2-yl)methyl]cyclohexan-1-one

Systemtic Name: (2S)-2-[(R)-benzotriazol-1-yl(pyridin-2-yl)methyl]cyclohexan-1-one Openeye Name: (2S)-2-[(R)-benzotriazol-1-yl(2-pyridyl)methyl]cyclohexanone CAS Name: (2S)-2-[(R)-1-benzotriazolyl(2-pyridinyl)methyl]-1-cyclohexanone IUPAC Name: (2S)-2-[(R)-benzotriazol-1-yl(pyridin-2-yl)methyl]cyclohexan-1-one Traditional Name: (2S)-2-[(R)-benzotriazol-1-yl(2-pyridyl)methyl]cyclohexanone Formula: C18H18N4O MolecularWeight: 306.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)C(C2=CC=CC=N2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCC(=O)[C@@H](C1)[C@H](C2=CC=CC=N2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H18N4O/c23-17-11-4-1-7-13(17)18(15-9-5-6-12-19-15)22-16-10-3-2-8-14(16)20-21-22/h2-3,5-6,8-10,12-13,18H,1,4,7,11H2/t13-,18-/m1/s1