4-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarbonitrile

Systemtic Name: 4-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarbonitrile Openeye Name: 4-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzonitrile CAS Name: 4-[3-[4-(2-methyl-1-oxopropyl)phenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 4-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzonitrile Traditional Name: 4-[3-(4-isobutyrylphenyl)prop-2-ynylamino]benzonitrile Formula: C20H18N2O MolecularWeight: 302.36972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC=C(C=C1)C#CCNC2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)C(=O)C1=CC=C(C=C1)C#CCNC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H18N2O/c1-15(2)20(23)18-9-5-16(6-10-18)4-3-13-22-19-11-7-17(14-21)8-12-19/h5-12,15,22H,13H2,1-2H3