4-[3-[3-methyl-4-(1-methylimidazol-2-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarbonitrile

Systemtic Name: 4-[3-[3-methyl-4-(1-methylimidazol-2-yl)carbonyl-phenyl]prop-2-ynylamino]benzenecarbonitrile Openeye Name: 4-[3-[3-methyl-4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzonitrile CAS Name: 4-[3-[3-methyl-4-[(1-methyl-2-imidazolyl)-oxomethyl]phenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 4-[3-[3-methyl-4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Traditional Name: 4-[3-[3-methyl-4-(1-methylimidazole-2-carbonyl)phenyl]prop-2-ynylamino]benzonitrile Formula: C22H18N4O MolecularWeight: 354.40452

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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)C3=NC=CN3C

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C#N)C(=O)C3=NC=CN3C

InChI

InChI=1S/C22H18N4O/c1-16-14-17(4-3-11-24-19-8-5-18(15-23)6-9-19)7-10-20(16)21(27)22-25-12-13-26(22)2/h5-10,12-14,24H,11H2,1-2H3