4-(2-imidazol-1-ylethyl)azepane-2-carbaldehyde

Systemtic Name: 4-(2-imidazol-1-ylethyl)azepane-2-carbaldehyde Openeye Name: 4-(2-imidazol-1-ylethyl)azepane-2-carbaldehyde CAS Name: 4-[2-(1-imidazolyl)ethyl]-2-azepanecarboxaldehyde IUPAC Name: 4-(2-imidazol-1-ylethyl)azepane-2-carbaldehyde Traditional Name: 4-(2-imidazol-1-ylethyl)azepane-2-carbaldehyde Formula: C12H19N3O MolecularWeight: 221.29876

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(NC1)C=O)CCN2C=CN=C2

Isomeric SMILES

C1CC(CC(NC1)C=O)CCN2C=CN=C2

InChI

InChI=1S/C12H19N3O/c16-9-12-8-11(2-1-4-14-12)3-6-15-7-5-13-10-15/h5,7,9-12,14H,1-4,6,8H2