2-(1H-imidazol-5-ylmethylamino)-3-oxidanylidene-3-phenyl-propanal

Systemtic Name: 2-(1H-imidazol-5-ylmethylamino)-3-oxidanylidene-3-phenyl-propanal Openeye Name: 2-(1H-imidazol-5-ylmethylamino)-3-oxo-3-phenyl-propanal CAS Name: 2-(1H-imidazol-5-ylmethylamino)-3-oxo-3-phenylpropanal IUPAC Name: 2-(1H-imidazol-5-ylmethylamino)-3-oxo-3-phenylpropanal Traditional Name: 2-(1H-imidazol-5-ylmethylamino)-3-keto-3-phenyl-propionaldehyde Formula: C13H13N3O2 MolecularWeight: 243.26122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C=O)NCC2=CN=CN2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C=O)NCC2=CN=CN2

InChI

InChI=1S/C13H13N3O2/c17-8-12(15-7-11-6-14-9-16-11)13(18)10-4-2-1-3-5-10/h1-6,8-9,12,15H,7H2,(H,14,16)