4-[3-[4-(3,4-dihydropyrazol-2-ylcarbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzenecarboximidamide

Systemtic Name: 4-[3-[4-(3,4-dihydropyrazol-2-ylcarbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzenecarboximidamide Openeye Name: 4-[3-[4-(3,4-dihydropyrazole-2-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzamidine CAS Name: 4-[3-[4-[3,4-dihydropyrazol-2-yl(oxo)methyl]-3-methylphenyl]prop-2-ynylamino]benzenecarboximidamide IUPAC Name: 4-[3-[4-(3,4-dihydropyrazole-2-carbonyl)-3-methylphenyl]prop-2-ynylamino]benzenecarboximidamide Traditional Name: 4-[3-[3-methyl-4-(2-pyrazoline-1-carbonyl)phenyl]prop-2-ynylamino]benzamidine Formula: C21H21N5O MolecularWeight: 359.42434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)C(=O)N3CCC=N3

InChI

InChI=1S/C21H21N5O/c1-15-14-16(5-10-19(15)21(27)26-13-3-12-25-26)4-2-11-24-18-8-6-17(7-9-18)20(22)23/h5-10,12,14,24H,3,11,13H2,1H3,(H3,22,23)