1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 1-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 1-[2-(azepan-1-yl)-2-oxo-ethyl]-1,2,4-triazole-3-carbonitrile CAS Name: 1-[2-(1-azepanyl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 1-[2-(azepan-1-yl)-2-keto-ethyl]-1,2,4-triazole-3-carbonitrile Formula: C11H15N5O MolecularWeight: 233.2697

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC(=N2)C#N

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC(=N2)C#N

InChI

InChI=1S/C11H15N5O/c12-7-10-13-9-16(14-10)8-11(17)15-5-3-1-2-4-6-15/h9H,1-6,8H2