3-oxidanylidene-4a,5,6,7,8,9-hexahydro-4H-pyrimido[1,6-a]azepine-4-carbonitrile

Systemtic Name: 3-oxidanylidene-4a,5,6,7,8,9-hexahydro-4H-pyrimido[1,6-a]azepine-4-carbonitrile Openeye Name: 3-oxo-4a,5,6,7,8,9-hexahydro-4H-pyrimido[1,6-a]azepine-4-carbonitrile CAS Name: 3-oxo-4a,5,6,7,8,9-hexahydro-4H-pyrimido[1,6-a]azepine-4-carbonitrile IUPAC Name: 3-oxo-4a,5,6,7,8,9-hexahydro-4H-pyrimido[1,6-a]azepine-4-carbonitrile Traditional Name: 3-keto-4a,5,6,7,8,9-hexahydro-4H-pyrimid[1,6-a]azepine-4-carbonitrile Formula: C10H13N3O MolecularWeight: 191.22972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C(=O)N=CN2CC1)C#N

Isomeric SMILES

C1CCC2C(C(=O)N=CN2CC1)C#N

InChI

InChI=1S/C10H13N3O/c11-6-8-9-4-2-1-3-5-13(9)7-12-10(8)14/h7-9H,1-5H2