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4-[3-(4-imidazol-1-ylcarbonyl-3-methyl-phenyl)prop-2-ynylamino]benzenecarbonitrile

4-[3-(4-imidazol-1-ylcarbonyl-3-methyl-phenyl)prop-2-ynylamino]benzenecarbonitrile

Systemtic Name:4-[3-(4-imidazol-1-ylcarbonyl-3-methyl-phenyl)prop-2-ynylamino]benzenecarbonitrile
Openeye Name:4-[3-[4-(imidazole-1-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzonitrile
CAS Name:4-[3-[4-[1-imidazolyl(oxo)methyl]-3-methylphenyl]prop-2-ynylamino]benzonitrile
IUPAC Name:4-[3-[4-(imidazole-1-carbonyl)-3-methylphenyl]prop-2-ynylamino]benzonitrile
Traditional Name:4-[3-[4-(imidazole-1-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzonitrile
Formula: C21H16N4O
MolecularWeight: 340.37794
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C#N)C(=O)N3C=CN=C3


Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C#N)C(=O)N3C=CN=C3


InChI

InChI=1S/C21H16N4O/c1-16-13-17(6-9-20(16)21(26)25-12-11-23-15-25)3-2-10-24-19-7-4-18(14-22)5-8-19/h4-9,11-13,15,24H,10H2,1H3


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