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4-[3-[4-(1H-imidazol-2-ylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide

4-[3-[4-(1H-imidazol-2-ylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name:4-[3-[4-(1H-imidazol-2-ylcarbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide
Openeye Name:4-[3-[4-(1H-imidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzamidine
CAS Name:4-[3-[4-[1H-imidazol-2-yl(oxo)methyl]phenyl]prop-2-ynylamino]benzenecarboximidamide
IUPAC Name:4-[3-[4-(1H-imidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide
Traditional Name:4-[3-[4-(1H-imidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzamidine
Formula: C20H17N5O
MolecularWeight: 343.38188
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)C3=NC=CN3


Isomeric SMILES

C1=CC(=CC=C1C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)C3=NC=CN3


InChI

InChI=1S/C20H17N5O/c21-19(22)16-7-9-17(10-8-16)23-11-1-2-14-3-5-15(6-4-14)18(26)20-24-12-13-25-20/h3-10,12-13,23H,11H2,(H3,21,22)(H,24,25)


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