4-[3-[4-(4,4-dimethyl-5-oxidanylidene-1H-pyrazol-3-yl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[4-(4,4-dimethyl-5-oxidanylidene-1H-pyrazol-3-yl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[4-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[4-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-2,5-dimethylphenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[4-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-2,5-dimethylphenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[4-(5-keto-4,4-dimethyl-2-pyrazolin-3-yl)-2,5-dimethyl-phenyl]prop-2-ynylamino]benzamidine Formula: C23H25N5O MolecularWeight: 387.4775

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C3=NNC(=O)C3(C)C

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)C3=NNC(=O)C3(C)C

InChI

InChI=1S/C23H25N5O/c1-14-13-19(20-23(3,4)22(29)28-27-20)15(2)12-17(14)6-5-11-26-18-9-7-16(8-10-18)21(24)25/h7-10,12-13,26H,11H2,1-4H3,(H3,24,25)(H,28,29)