3-methyl-5-pentanoyl-imidazole-4-carbonitrile

Systemtic Name: 3-methyl-5-pentanoyl-imidazole-4-carbonitrile Openeye Name: 3-methyl-5-pentanoyl-imidazole-4-carbonitrile CAS Name: 3-methyl-5-(1-oxopentyl)-4-imidazolecarbonitrile IUPAC Name: 3-methyl-5-pentanoylimidazole-4-carbonitrile Traditional Name: 3-methyl-5-valeryl-imidazole-4-carbonitrile Formula: C10H13N3O MolecularWeight: 191.22972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)C1=C(N(C=N1)C)C#N

Isomeric SMILES

CCCCC(=O)C1=C(N(C=N1)C)C#N

InChI

InChI=1S/C10H13N3O/c1-3-4-5-9(14)10-8(6-11)13(2)7-12-10/h7H,3-5H2,1-2H3