(2S)-2-(benzotriazol-2-yl)-2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one

Systemtic Name: (2S)-2-(benzotriazol-2-yl)-2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one Openeye Name: (2S)-2-(benzotriazol-2-yl)-2-[(E)-cinnamyl]cyclohexanone CAS Name: (2S)-2-(2-benzotriazolyl)-2-[(E)-3-phenylprop-2-enyl]-1-cyclohexanone IUPAC Name: (2S)-2-(benzotriazol-2-yl)-2-[(E)-3-phenylprop-2-enyl]cyclohexan-1-one Traditional Name: (2S)-2-(benzotriazol-2-yl)-2-[(E)-cinnamyl]cyclohexanone Formula: C21H21N3O MolecularWeight: 331.41094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)C1)(CC=CC2=CC=CC=C2)N3N=C4C=CC=CC4=N3

Isomeric SMILES

C1CC[C@@](C(=O)C1)(C/C=C/C2=CC=CC=C2)N3N=C4C=CC=CC4=N3

InChI

InChI=1S/C21H21N3O/c25-20-14-6-7-15-21(20,16-8-11-17-9-2-1-3-10-17)24-22-18-12-4-5-13-19(18)23-24/h1-5,8-13H,6-7,14-16H2/b11-8+/t21-/m0/s1