3-[(2-azanyl-3-imidazol-1-yl-phenyl)amino]propanenitrile

Systemtic Name: 3-[(2-azanyl-3-imidazol-1-yl-phenyl)amino]propanenitrile Openeye Name: 3-(2-amino-3-imidazol-1-yl-anilino)propanenitrile CAS Name: 3-[2-amino-3-(1-imidazolyl)anilino]propanenitrile IUPAC Name: 3-(2-amino-3-imidazol-1-ylanilino)propanenitrile Traditional Name: 3-(2-amino-3-imidazol-1-yl-anilino)propionitrile Formula: C12H13N5 MolecularWeight: 227.26512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NCCC#N)N)N2C=CN=C2

Isomeric SMILES

C1=CC(=C(C(=C1)NCCC#N)N)N2C=CN=C2

InChI

InChI=1S/C12H13N5/c13-5-2-6-16-10-3-1-4-11(12(10)14)17-8-7-15-9-17/h1,3-4,7-9,16H,2,6,14H2