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

Systemtic Name: 2-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzenecarbonitrile Openeye Name: 2-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzonitrile CAS Name: 2-[3-[4-(2-methyl-1-oxopropyl)phenyl]prop-2-ynylamino]benzonitrile IUPAC Name: 2-[3-[4-(2-methylpropanoyl)phenyl]prop-2-ynylamino]benzonitrile Traditional Name: 2-[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=CC=C2C#N

Isomeric SMILES

CC(C)C(=O)C1=CC=C(C=C1)C#CCNC2=CC=CC=C2C#N

InChI

InChI=1S/C20H18N2O/c1-15(2)20(23)17-11-9-16(10-12-17)6-5-13-22-19-8-4-3-7-18(19)14-21/h3-4,7-12,15,22H,13H2,1-2H3