4-[3-[4-(1-methylimidazol-2-yl)carbonylphenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[4-(1-methylimidazol-2-yl)carbonylphenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C21H19N5O MolecularWeight: 357.40846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CN1C=CN=C1C(=O)C2=CC=C(C=C2)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H19N5O/c1-26-14-13-25-21(26)19(27)16-6-4-15(5-7-16)3-2-12-24-18-10-8-17(9-11-18)20(22)23/h4-11,13-14,24H,12H2,1H3,(H3,22,23)