4-(azepan-1-ylmethyl)-5-methyl-1,2-oxazole-3-carbaldehyde

Systemtic Name: 4-(azepan-1-ylmethyl)-5-methyl-1,2-oxazole-3-carbaldehyde Openeye Name: 4-(azepan-1-ylmethyl)-5-methyl-isoxazole-3-carbaldehyde CAS Name: 4-(1-azepanylmethyl)-5-methyl-3-isoxazolecarboxaldehyde IUPAC Name: 4-(azepan-1-ylmethyl)-5-methyl-1,2-oxazole-3-carbaldehyde Traditional Name: 4-(azepan-1-ylmethyl)-5-methyl-isoxazole-3-carbaldehyde Formula: C12H18N2O2 MolecularWeight: 222.28352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C=O)CN2CCCCCC2

Isomeric SMILES

CC1=C(C(=NO1)C=O)CN2CCCCCC2

InChI

InChI=1S/C12H18N2O2/c1-10-11(12(9-15)13-16-10)8-14-6-4-2-3-5-7-14/h9H,2-8H2,1H3