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

Systemtic Name: 2-[3-(4-imidazol-1-ylcarbonyl-3-methyl-phenyl)prop-2-ynylamino]benzenecarbonitrile Openeye Name: 2-[3-[4-(imidazole-1-carbonyl)-3-methyl-phenyl]prop-2-ynylamino]benzonitrile CAS Name: 2-[3-[4-[1-imidazolyl(oxo)methyl]-3-methylphenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 2-[3-[4-(imidazole-1-carbonyl)-3-methylphenyl]prop-2-ynylamino]benzonitrile Traditional Name: 2-[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=CC=C2C#N)C(=O)N3C=CN=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=CC=C2C#N)C(=O)N3C=CN=C3

InChI

InChI=1S/C21H16N4O/c1-16-13-17(8-9-19(16)21(26)25-12-11-23-15-25)5-4-10-24-20-7-3-2-6-18(20)14-22/h2-3,6-9,11-13,15,24H,10H2,1H3