(2S)-2-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-one

Systemtic Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-one Openeye Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cycloheptanone CAS Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)-1-cycloheptanone IUPAC Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cycloheptan-1-one Traditional Name: (2S)-2-(1,2,4-triazol-1-ylmethyl)cycloheptanone Formula: C10H15N3O MolecularWeight: 193.2456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(=O)CC1)CN2C=NC=N2

Isomeric SMILES

C1CC[C@H](C(=O)CC1)CN2C=NC=N2

InChI

InChI=1S/C10H15N3O/c14-10-5-3-1-2-4-9(10)6-13-8-11-7-12-13/h7-9H,1-6H2/t9-/m0/s1