4-(1-morpholin-4-yl-3-phenyl-prop-2-ynyl)benzenecarbonitrile

Systemtic Name: 4-(1-morpholin-4-yl-3-phenyl-prop-2-ynyl)benzenecarbonitrile Openeye Name: 4-(1-morpholino-3-phenyl-prop-2-ynyl)benzonitrile CAS Name: 4-[1-(4-morpholinyl)-3-phenylprop-2-ynyl]benzonitrile IUPAC Name: 4-(1-morpholin-4-yl-3-phenylprop-2-ynyl)benzonitrile Traditional Name: 4-(1-morpholino-3-phenyl-prop-2-ynyl)benzonitrile Formula: C20H18N2O MolecularWeight: 302.36972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(C#CC2=CC=CC=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1COCCN1C(C#CC2=CC=CC=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H18N2O/c21-16-18-6-9-19(10-7-18)20(22-12-14-23-15-13-22)11-8-17-4-2-1-3-5-17/h1-7,9-10,20H,12-15H2